IBA (isobutanol)

CAS

Purity

CHARACTER

isobutanol (IBA), chemical formula C4H10O, is a colorless and transparent liquid with a special smell, molecular weight 74.12, slightly soluble in water, but soluble in ethanol, ether and other organic solvents. Isobutanol is an important organic synthetic raw material, widely used in the manufacture of petroleum additives, antioxidants, plasticizers, synthetic rubber and artificial musk and other fields. At the same time, it is also used for the purification of chemical reagents such as strontium, barium and lithium salts, and as a solvent and extractant in chemical analysis. The versatility of isobutanol makes it an indispensable raw material in many industrial fields and has a wide range of applications.

APPLICATIONS

(1) Organic synthesis raw materials and solvents: Isobutanol is an important organic synthesis raw material, which can be used to synthesize a variety of organic compounds, such as benzene sulfonic acid, isobutyl acetate, acrolein, chlorpromazine and other drugs. At the same time, it is also a high-grade solvent that can dissolve a variety of organic substances, which is used to improve the softness and fluidity of the product, reduce the viscosity, and improve the dispersibility of the precipitate.

(2) Edible Spices and Additives: Isobutanol is specified as permitted by GB 2760-2014, with code S0005 and FEMA number 2179. In addition, it can also be used as a gasoline additive for spark ignition engines to help prevent carburetor icing.

(3) Petroleum and chemical reagent manufacturing: Isobutanol can be used to manufacture petroleum additives, antioxidants, 2,6-di-tert-butyl-p-cresol and other chemicals. At the same time, it can also be used to extract pure strontium, barium and lithium salt chemical reagents, as well as for calcium, strontium, barium, sodium, potassium, lithium, silver, chlorine and phosphite determination.

(4) Coating and rubber manufacturing: Isobutanol is an important raw material for the manufacture of isobutyl acetate, which is mainly used for the production of paint and similar coatings. In addition, isobutanol can also be used in the manufacture of plasticizers, synthetic rubber, artificial musk, etc., in rubber, plastics and other industries have a wide range of applications.

(5) Analytical reagents and extractants: Isobutanol can be used as analytical reagents, chromatographic reagents and extractants, and plays an important role in chemical analysis, thin layer chromatography and other fields.

(6) Other applications: Isobutanol can also be used as a cosolvent for cellulose nitrate, as well as solvents for ethyl cellulose, polyvinyl butyral, various oils, rubber and natural resins. In addition, it has potential fuel uses, and may replace gasoline as a fuel for internal combustion engines in the future.

ABILITIES

1. Packing: barreled, scattered water
2. Logistics: car transportation, shipping
3. Payment request: EXW/FOB/FCA/CFR only accepted

HONORARY

Chinese name	isobutanol
English Name	2-Methyl-1-propanol
Alias	Isobutyl alcohol isobutyl alcohol natural isobutyl alcohol isopropyl methanol 2-methyl-1-propanol 1-hydroxy-3-methylpropane
English alias	IBA FEMA 2179 ISOBUTANOL Isobutanol Iso-Butanol Iso Butanol Isobutyl alcohol ISOBUTYL ALCOHOL ISOPROPYL CARBINOL 2-Methyl-1-propanol ISO-PROPYL BARBINOL Natural Isobutyl Alcohol NATURAL ISO BUTYL ALCOHOL ISOBUTANOL, 2-METHYL-1-PROPANOL
CAS	78-83-1
EINECS	201-148-0
Chemical formula	C4H10O
molecular weight	74.12
InChI	InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey	ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Density	0.803 g/mL at 25°C (lit.)
Melting Point	-108°C (lit.)
Boiling Point	108°C (lit.)108°C
Flash Point	82 °F
water soluble	95 g/L (20 °C)
Vapor pressure	8mm Hg ( 20 °C)
steam density	2.55 (vs air)
JECFA Number	251
Solubility	Water: 70g/L at 20°C
refractive index	n20/D 1.396(lit.)
acidity coefficient	>14 (Schwarzenbach et al., 1993)
PH value	7 (80g/l, H2O, 20℃)
Storage conditions	Store at +5°C to +30°C.
Stability	Stable. Flammable. Incompatible with aluminum, a strong oxidant.
Appearance	Solid
Color	APHA: ≤10
Smell	Slightly suffocating; nonresidual alcoholi
Maximum wavelength (λmax)	['λ: 260 nm Amax: 0.10', , 'λ: 280 nm Amax: 0.06']
Merck	14,5131
BRN	1730878
Explosion limit value	1.5-12%(V)
Exposure Limits	TWA 300 mg/m3 (100 ppm) NIOSH, 150mg/m3 (50 ppm) (ACGIH); IDLH 8000 ppm.
physicochemical properties	Colorless transparent liquid. There is a special smell. Soluble in about 20 times of water, miscible with ethanol and ether.
Dangerous Goods Signs	Xi-Irritant Items
Risk Terms	R10-Flammable. R37/38-Irritation of respiratory system and skin + B52. R41-Serious injury to eyes. R67-Vapor may cause drowsiness and dizziness.
Safety terminology	S13-Keep away from food, beverages and animal feed. S26-After contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39-Wear appropriate gloves and goggles or mask. S46-If swallowed, seek medical advice immediately and show the container or label. S7/9-
Dangerous Goods Transport No.	UN 1212 3/PG 3
WGK Germany	1
RTECS	NP9625000
TSCA	Yes
Customs Number	29051990
Hazard Class	3
Packing Group	III
Upstream raw materials	propylene hydrogen isobutyraldehyde fusel oil
Downstream Products	isobutyl methacrylate isobutyl acetoacetate isobutyl acetate isobutyl isobutyronitrile dibutyl phthalate dibutyl phthalate diisobutyl phthalate

Isobutanol- Properties

Colorless transparent liquid with special smell. It is miscible with ethanol and ether and soluble in about 20 parts of water. Flammable, its vapor and air can form an explosive mixture, fire, high heat caused by combustion explosion. Decomposition by heat releases toxic gases. Can react strongly with oxidants.

Isobutanol- preparation method

Propylene and synthesis gas as raw materials, through the carbonyl synthesis of normal, isobutyraldehyde, after the removal of the catalyst, hydrogenation into normal, isobutanol, after dehydration separation, respectively, the finished normal, isobutanol. Alternatively, isobutyl aldehyde is subjected to a liquid phase hydrogenation reaction under the catalysis of nickel to produce isobutyl alcohol. It can also be recovered from isobutyl oil produced as a by-product of a methanol plant, and isobutyl oil is dehydrated by demethanolization, salting out, and then azeotropic distillation to obtain isobutanol.

Isobutanol- Use

Reagents for the determination of calcium, strontium, barium, sodium, potassium, lithium, silver, chloride and phosphites. Chromatographic analysis of reference substances. It is also a common solvent and extraction agent. Used to extract lithium chloride from a mixture of lithium chloride with sodium chloride or potassium chloride. Used in the manufacture of petroleum additives, antioxidants, 2,6-= tert-butyl p-cresol, isobutyl acetate (coating solvent), plasticizers, synthetic rubber, artificial musk; fruit essential oils and synthetic drugs.

Isobutanol- Safety

Rat oral LD50: 2460 mg/kg; Rabbit percutaneous LDso: 3400 mg/kg. Higher concentrations of vapors are irritating to the eyes, skin, mucous membranes, and upper respiratory tract. Store in a cool, ventilated warehouse. Keep away from fire and heat source. The temperature of the warehouse should not exceed 30 ℃. Keep container sealed. It should be stored separately from oxidants, acids, etc., and mixed storage is not allowed.

Isobutanol- Introduction

Isobutanol, also known as 2-butanol. The following is an introduction to the nature, use, preparation and safety information of isobutanol:

1. nature: it is soluble in water and most organic solvents, and has strong dehydration and corrosion.

2. Uses:
isobutanol has a wide range of applications in industry. It is an important organic synthesis solvent, which can be used in organic synthesis reactions and the preparation of a variety of chemical reagents.

3. preparation method:
isobutanol can be obtained through a series of chemical reactions. Among them, the most commonly used method is the hydrogenation reaction of isobutene. Under the catalysis of hydrogenation agent (such as nickel), isobutene is reacted with hydrogen to produce isobutanol.

4. Safety Information:
Isobutanol is harmful to people and the environment. It is a flammable liquid that will explode when in contact with open flame, high temperature and oxygen. Isobutanol is irritating and corrosive, and contact with the skin, eyes, and respiratory tract can cause irritation and burns. When using or storing isobutanol, care must be taken to avoid contact with fire and oxygen, and personal protective measures must be taken, such as wearing protective gloves, goggles and protective masks. In the disposal of waste should comply with the relevant laws and regulations, so as not to cause pollution to the environment.

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Chemical Safety Data Sheet MSDS / SDS

2-Methyl-1-propanol

SECTION 1: Identification of the substance/mixture and of the company/undertaking

Product identifier

Product name: 2-Methyl-1-propanol
CBnumber: CB3158955
CAS: 78-83-1
EINECS Number: 201-148-0
Synonyms: IBA,isobutanol

Relevant identified uses of the substance or mixture and uses advised against

Relevant identified uses: For R&D use only. Not for medicinal, household or other use.
Uses advised against: none

SECTION 2: Hazards identification

GHS Label elements, including precautionary statements

Symbol(GHS)

Signal wordDanger

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P405 Store locked up.

P403+P235 Store in a well-ventilated place. Keep cool.

P370+P378 In case of fire: Use … for extinction.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P303+P361+P353 IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

Hazard statements

H336 May cause drowsiness or dizziness

H335 May cause respiratory irritation

H318 Causes serious eye damage

H315 Causes skin irritation

H226 Flammable liquid and vapour

SECTION 3: Composition/information on ingredients

Substance

Product name: 2-Methyl-1-propanol
Synonyms: IBA,isobutanol
CAS: 78-83-1
EC number: 201-148-0
MF: C4H10O
MW: 74.12

SECTION 4: First aid measures

Description of first aid measures

General advice

Show this material safety data sheet to the doctor in attendance.

If inhaled

After inhalation: fresh air. Call in physician.

In case of skin contact

In case of skin contact: Take off immediately all contaminated clothing. Rinse skin with water/ shower.

In case of eye contact

After eye contact: rinse out with plenty of water. Immediately call in ophthalmologist. Remove contact lenses.

If swallowed

After swallowing: immediately make victim drink water (two glasses at most). Consult a physician.

Most important symptoms and effects, both acute and delayed

The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11

Indication of any immediate medical attention and special treatment needed

No data available

SECTION 5: Firefighting measures

Extinguishing media

Suitable extinguishing media

Carbon dioxide (CO2) Foam Dry powder

Unsuitable extinguishing media

For this substance/mixture no limitations of extinguishing agents are given.

Special hazards arising from the substance or mixture

Carbon oxides Combustible.

Vapors are heavier than air and may spread along floors. Forms explosive mixtures with air at elevated temperatures.

Development of hazardous combustion gases or vapours possible in the event of fire.

Advice for firefighters

Stay in danger area only with self-contained breathing apparatus. Prevent skin contact by keeping a safe distance or by wearing suitable protective clothing.

Further information

Remove container from danger zone and cool with water. Prevent fire extinguishing water from contaminating surface water or the ground water system.

SECTION 6: Accidental release measures

Personal precautions, protective equipment and emergency procedures

Advice for non-emergency personnel: Do not breathe vapors, aerosols. Avoid substance contact. Ensure adequate ventilation. Keep away from heat and sources of ignition.

Evacuate the danger area, observe emergency procedures, consult an expert. For personal protection see section 8.

Environmental precautions

Do not let product enter drains. Risk of explosion.

Methods and materials for containment and cleaning up

Cover drains. Collect, bind, and pump off spills. Observe possible material restrictions (see sections 7 and 10). Take up with liquid-absorbent material (e.g. Chemizorb? ). Dispose of properly. Clean up affected area.

Reference to other sections

For disposal see section 13.

SECTION 7: Handling and storage

Precautions for safe handling

Advice on safe handling

Avoid generation of vapours/aerosols.

Advice on protection against fire and explosion

Keep away from open flames, hot surfaces and sources of ignition.Take precautionary measures against static discharge.

Hygiene measures

Immediately change contaminated clothing. Apply preventive skin protection. Wash hands and face after working with substance.

For precautions see section 2.2.

Conditions for safe storage, including any incompatibilities

Storage conditions

Keep container tightly closed in a dry and well-ventilated place. Keep away from heat and sources of ignition.

Specific end use(s)

Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection

control parameter

Hazard composition and occupational exposure limits

Does not contain substances with occupational exposure limits.

Exposure controls

Personal protective equipment

Eye/face protection

Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Tightly fitting safety goggles

Skin protection

Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

The selected protective gloves have to satisfy the specifications of Regulation (EU) 2016/425 and the standard EN 374 derived from it.

Full contact

Material: Nitrile rubber

Minimum layer thickness: 0,11 mm Break through time: 480 min

Material tested:Dermatril? (KCL 740 / Aldrich Z677272, Size M)

Splash contact Material: Nitrile rubber

Minimum layer thickness: 0,11 mm Break through time: 480 min

Material tested:Dermatril? (KCL 740 / Aldrich Z677272, Size M)

data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, e-mail sales@kcl.de, test method: EN374

If used in solution, or mixed with other substances, and under conditions which differ from EN 374, contact the supplier of the EC approved gloves. This recommendation is advisory only and must be evaluated by an industrial hygienist and safety officer familiar with the specific situation of anticipated use by our customers. It should not be construed as offering an approval for any specific use scenario.

Body Protection

Flame retardant antistatic protective clothing.

Respiratory protection

Recommended Filter type: Filter A (acc. to DIN 3181) for vapours of organic compounds

The entrepeneur has to ensure that maintenance, cleaning and testing of respiratory protective devices are carried out according to the instructions of the producer.

These measures have to be properly documented.

Control of environmental exposure

Do not let product enter drains. Risk of explosion.

Exposure limits

TWA 300 mg/m³ (100 ppm) NIOSH, 150 mg/m³ (50 ppm) (ACGIH); IDLH 8000 ppm.

SECTION 9: Physical and chemical properties

Information on basic physicochemical properties

Appearancecolorless, clear liquid
Odouralcohol-like
Odour Threshold1,6 ppm
pH7 (80g/l, H2O, 20℃)
Melting point/freezing pointMelting point/range: -108 °C - lit.
Initial boiling point and boiling range108 °C - lit.
Flash point28 °C - closed cup
Evaporation rate0,6
Flammability (solid, gas)No data available
Upper/lower flammability or explosive limitsUpper explosion limit: 10,6 %(V) Lower explosion limit: 1,7 %(V)
Vapour pressure8 hPa at 20 °C
Vapour density2,55
Relative densityNo data available
Water solubility70 g/l at 20 °C - OECD Test Guideline 105- completely miscible
Partition coefficient: n-octanol/waterlog Pow: 1 at 25 °C - Bioaccumulation is not expected.
Autoignition temperature427 °C
Decomposition temperatureNo data available
ViscosityViscosity, kinematic: 4,00 mm2/s at 20 °C Viscosity, dynamic: 3,103 mPa.s at 20 °C
Explosive propertiesNo data available
Oxidizing propertiesNo data available
Henry's Law Constant20.0 at 30.00 °C, 72.2 at 50.00 °C, 133 at 60.00 °C, 216 at 70.00 °C, 330 at 80.00 °C (headspace- GC, Hovorka et al., 2002)
λmaxλ: 260 nm Amax: 0.10
λ: 280 nm Amax: 0.06

Other safety information

Surface tension 69,7 mN/m at 20 °C

Relative vapor density

2,55

SECTION 10: Stability and reactivity

Reactivity

Vapor/air-mixtures are explosive at intense warming.

Chemical stability

The product is chemically stable under standard ambient conditions (room temperature) . Stable

Possibility of hazardous reactions

No data available

Conditions to avoid

Heating.

Incompatible materials

Strong oxidizing agents, Acid chlorides, Acid anhydridesStrong oxidizing agents, Acid chlorides, Acid anhydrides

Hazardous decomposition products

In the event of fire: see section 5

SECTION 11: Toxicological information

Information on toxicological effects

Acute toxicity

LD50 Oral - Rat - female - 3.350 mg/kg (OECD Test Guideline 401)
LC50 Inhalation - Rat - male and female - 4 h - 24,6 mg/l Remarks:
(ECHA)
LD50 Dermal - Rabbit - female - 2.460 mg/kg (OECD Test Guideline 402)

Skin corrosion/irritation

Skin - Rabbit
Result: Irritating to skin. - 24 h Remarks:
Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)

Serious eye damage/eye irritation

Eyes - Rabbit
Result: Corrosive - 24 h (OECD Test Guideline 405) Remarks:
Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)

Respiratory or skin sensitization

No data available

Germ cell mutagenicity

In vitro mammalian cell gene mutation test Chinese hamster fibroblasts
Result: negative Remarks: (ECHA)
Ames test
Escherichia coli/Salmonella typhimurium Result: negative
OECD Test Guideline 474 Mouse - male and female Result: negative

Carcinogenicity

IARC: No ingredient of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC.

Reproductive toxicity

No data available

Specific target organ toxicity - single exposure

May cause respiratory irritation. - Respiratory Tract
May cause drowsiness or dizziness. - Central nervous system

Specific target organ toxicity - repeated exposure

No data available

Aspiration hazard

No data available

Toxicity

LD50 orally in rats: 2.46 g/kg (Smyth)

SECTION 12: Ecological information

Toxicity

Toxicity to fish

flow-through test LC50 - Pimephales promelas (fathead minnow) -

1.430 mg/l - 96 h Remarks: (ECHA)

Toxicity to daphnia and other aquatic invertebrates

static test EC50 - Daphnia pulex (Water flea) - 1.100 mg/l - 48 h Remarks: (ECHA)

Toxicity to algae

static test ErC50 - Pseudokirchneriella subcapitata - 1.799 mg/l - 72 h

(OECD Test Guideline 201)

Persistence and degradability

Biodegradability aerobic - Exposure time 28 d

Result: 70 - 80 % - Readily biodegradable. (OECD Test Guideline 301D)

Chemical Oxygen Demand (COD)

2.600 mg/g

Remarks: (External MSDS)

Theoretical oxygen demand

2.600 mg/g Remarks: (Lit.)

Ratio BOD/ThBOD 64 %

Remarks: (Lit.)

Bioaccumulative potential

No data available

Mobility in soil

No data available

Results of PBT and vPvB assessment

This substance/mixture contains no components considered to be either persistent, bioaccumulative and toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

Other adverse effects

Additional ecological information

No data available

SECTION 13: Disposal considerations

Waste treatment methods

Incompatibilities

Butyl alcohols may form explosive mixture with air. In all cases they are Incompatible with oxidizers. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.

Product

See www.retrologistik.com for processes regarding the return of chemicals and containers, or contact us there if you have further questions.

Waste Disposal

Incineration, or bury absorbed waste in an approved land fill.

SECTION 14: Transport information

UN number

ADR/RID: 1212 IMDG: 1212

UN proper shipping name

ADR/RID: ISOBUTANOL IMDG: ISOBUTANOL IATA: Isobutanol

Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

Packaging group

ADR/RID: III IMDG: III IATA: III

Environmental hazards

ADR/RID: no IMDG Marine pollutant: no IATA: no

Special precautions for user

No data available

SECTION 15: Regulatory information

Safety, health and environmental regulations/legislation specific for the substance or mixture

Regulations on the Safety Management of Hazardous Chemicals

China Catalog of Hazardous chemicals 2015:Listed. website: https://www.mem.gov.cn/

Measures for Environmental Management of New Chemical Substances

European Inventory of Existing Commercial Chemical Substances (EINECS):Listed. website: https://echa.europa.eu/

Korea Existing Chemicals List (KECL):Listed. website: http://ncis.nier.go.kr

New Zealand Inventory of Chemicals (NZIoC):Listed. website: https://www.epa.govt.nz/

Philippines Inventory of Chemicals and Chemical Substances (PICCS):Listed. website: https://emb.gov.ph/

United States Toxic Substances Control Act (TSCA) Inventory:Listed. website: https://www.epa.gov/

Vietnam National Chemical Inventory:Listed. website: https://chemicaldata.gov.vn/

EC Inventory:Listed.

Chinese Chemical Inventory of Existing Chemical Substances (China IECSC):Listed. website: https://www.mee.gov.cn/

SECTION 16: Other information

Abbreviations and acronyms

ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
CAS: Chemical Abstracts Service
EC50: Effective Concentration 50%
IATA: International Air Transportation Association
IMDG: International Maritime Dangerous Goods
LC50: Lethal Concentration 50%
LD50: Lethal Dose 50%
RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
STEL: Short term exposure limit
TWA: Time Weighted Average

References

【1】CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple

【2】ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp

【3】ECHA - European Chemicals Agency, website: https://echa.europa.eu/

【4】eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en

【5】ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg

【6】Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp

【7】HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm

【8】IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/

【9】IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home

【10】Sigma-Aldrich, website: https://www.sigmaaldrich.com/

Disclaimer:

The information in this MSDS is only applicable to the specified product, unless otherwise specified, it is not applicable to the mixture of this product and other substances. This MSDS only provides information on the safety of the product for those who have received the appropriate professional training for the user of the product. Users of this MSDS must make independent judgments on the applicability of this SDS. The authors of this MSDS will not be held responsible for any harm caused by the use of this MSDS.

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