Isobutyl alcohol

Isobutyl alcohol - Names and Identifiers

Name	2-Methyl-1-propanol
Synonyms	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
InChI	InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey	ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Isobutyl alcohol - Physico-chemical Properties

Molecular Formula	C4H10O
Molar Mass	74.12
Density	0.803 g/mL at 25 °C (lit.)
Melting Point	-108 °C (lit.)
Boling Point	108 °C (lit.)108 °C
Flash Point	82°F
JECFA Number	251
Water Solubility	95 g/L (20 ºC)
Solubility	water: miscible70g/L at 20°C
Vapor Presure	8 mm Hg ( 20 °C)
Vapor Density	2.55 (vs air)
Appearance	Solid
Color	APHA: ≤10
Odor	Slightly suffocating; nonresidual alcoholi
Exposure Limit	TWA 300 mg/m3 (100 ppm) NIOSH, 150mg/m3 (50 ppm) (ACGIH); IDLH 8000 ppm.
Maximum wavelength(λmax)	['λ: 260 nm Amax: 0.10', , 'λ: 280 nm Amax: 0.06']
Merck	14,5131
BRN	1730878
pKa	>14 (Schwarzenbach et al., 1993)
PH	7 (80g/l, H2O, 20℃)
Storage Condition	Store at +5°C to +30°C.
Stability	Stable. Flammable. Incompatible with strong oxidizing agents, aluminium.
Explosive Limit	1.5-12%(V)
Refractive Index	n20/D 1.396(lit.)
Physical and Chemical Properties	Character: colorless transparent liquid. Special odor. melting point -108 ℃ boiling point 108.1 ℃ relative density 0.806 refractive index 1.3976 flash point 27.5 ℃ soluble in about 20 times of water, miscible with ethanol and ether.
Use	Used as a raw material for organic synthesis, also used as an advanced solvent

Isobutyl alcohol - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	R10 - Flammable R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R67 - Vapors may cause drowsiness and dizziness
Safety Description	S13 - Keep away from food, drink and animal foodstuffs. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S46 - If swallowed, seek medical advice immediately and show this container or label. S7/9 -
UN IDs	UN 1212 3/PG 3
WGK Germany	1
RTECS	NP9625000
TSCA	Yes
HS Code	29051990
Hazard Class	3
Packing Group	III
Toxicity	LD50 orally in rats: 2.46 g/kg (Smyth)

Isobutyl alcohol - Upstream Downstream Industry

Raw Materials	Propylene Hydrogen Isobutyraldehyde Fuseloil
Downstream Products	Isobutyl methacrylate Butanoic acid, 3-oxo-, 2-methylpropyl ester Isobutyl Acetate isobutyronitrile Dibutyl phthalate Diisobutyl phthalate

Isobutyl alcohol - Nature

Open Data Verified Data

colorless transparent liquid with special odor. Miscible with ethanol and ether, soluble in about 20 parts of water. Flammable, its vapor and air can form an explosive mixture, in the case of open flame, high heat energy caused by combustion explosion. Toxic gases are released by thermal decomposition. A strong reaction with an oxidizing agent can occur.

Last Update：2024-01-02 23:10:35

Isobutyl alcohol - Preparation Method

Open Data Verified Data

with propylene and synthesis gas as raw materials, through the carbonyl synthesis, the normal and isobutyraldehyde were obtained, after the catalyst was removed, the product was hydrogenated to normal and isobutanol, and the product was obtained by dehydration and separation, respectively. Alternatively, isobutyraldehyde is subjected to liquid phase hydrogenation reaction under the catalysis of nickel to obtain isobutanol. It can also be recovered from isobutyl oil, which is a by-product of a methanol plant. Isobutyl oil is demethanized, salted out and dehydrated, and then subjected to azeotropic distillation to obtain isobutanol.

Last Update：2022-01-01 09:25:09

Isobutyl alcohol - Use

Open Data Verified Data

reagents for the determination of calcium, strontium, barium, sodium, potassium, lithium, silver, chloride and phosphite. Chromatographic analysis of reference substances. It is also a common solvent and extractant. For the extraction of lithium chloride from a mixture of lithium chloride and 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 oil and synthetic drugs.

Last Update：2022-01-01 09:25:10

Isobutyl alcohol - Safety

Open Data Verified Data

rat oral LD50: 2460 mg/kg; Rabbit percutaneous LDso: 3400 mg/kg. Higher concentrations of vapor 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. Storage temperature should not exceed 30 ℃. Keep the container sealed. It should be stored separately from oxidants and acids, and mixed storage should not be avoided.

Last Update：2022-01-01 09:25:11

Isobutyl alcohol - Reference Information

FEMA	2179 \| ISOBUTYL ALCOHOL
relative polarity	0.552
olfactory Threshold	0.011ppm
Henry's Law Constant	20.0 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)
LogP	1 at 25℃
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Overview	isobutanol, also known as isopropyl methanol, 2-methylpropanol, is a colorless flammable liquid with alcohol flavor, which is the fresh tea leaves, one of the main components of black and green tea aroma, molecular weight 74.12. Boiling point 107.66 °c. The relative density was 0.8016 (20/ 4 ℃). Refractive index 1.3959. Flash point 37 °c. Miscible with alcohol and ether, slightly soluble in water. Its vapor can form an explosive mixture with air, and the explosion limit is 2.4% (volume). Can form an addition compound with calcium chloride (CaCl2 · 3C4H10O). The by-product of the synthesis of methanol can be obtained by rectification, or can be obtained by separating from a crude fusel oil. Industrial cobalt carbonyl as a catalyst, the mixture of propylene and carbon monoxide and hydrogen at 110~140 ℃,2.0265 × 107~3.0397 × 107Pa reaction to produce butyraldehyde and isobutyraldehyde, and then catalytic hydrogenation, isobutanol was obtained by separation. Used in the manufacture of petroleum additives, antioxidants, plasticizers, synthetic rubber, artificial musk, fruit essential oil and synthetic drugs. Also used as solvents and chemical reagents.
Application	isobutanol can be used as a cosolvent for cellulose nitrate, ethyl cellulose, polyvinyl butyral, various oils, rubber, solvents for natural resins. used as analytical reagents, Chromatographic Reagents, solvents and extractants used as raw materials for organic synthesis, also used as advanced solvents isobutanol is a raw material for organic synthesis, isobutyronitrile, an intermediate for the synthesis of diazinon, is mainly used in pesticides. raw materials for organic synthesis. Used in the manufacture of petroleum additives, antioxidants, 2, 6-di-tert-butyl-p-cresol, isobutyl acetate (coating solvent), plasticizers, synthetic rubber, artificial musk, fruit essential oil and synthetic drugs. It can also be used to improve the purity of strontium, barium, lithium and other salt chemical reagents and used as advanced solvents. extraction solvent. GB 2760-96 provides for the permitted use of flavorants. solvent. Extractant. Lithium chloride is extracted from a mixture of lithium chloride and sodium chloride or potassium, and strontium bromide and barium bromide are separated. Determination of calcium, strontium, barium, sodium, potassium, lithium, silver, chloride and phosphite. Organic Synthesis.
toxicity	ADI is not specified (FAO/WHO,2001). Ld502460 mg/kg (rat, oral).
usage limit	FEMA(mg/kg): Soft drink 17, cold drink 7.0, Candy 30, baked goods 24. As the extraction solvent of the spice oleoresin, the maximum allowable residual amount in the final product is 50. As the extraction solvent of lemon oil, the maximum allowable residue of the finished product is 6, and when used for hop extraction, the maximum allowable residue of the finished product is 2.0.
method of production	reduced from butyraldehyde in the presence of sodium amalgam or other catalysts. Synthesis of methanol by-products, by distillation and pure products. 1. The carbonyl synthesis method (by-product of propylene to butanol) uses propylene and synthesis gas as raw materials to produce N-and ISO-butyraldehyde by carbonyl synthesis, and after catalyst removal, it is hydrogenated to N-and ISO-butanol, which is separated by dehydration, respectively, the product is, isobutanol. Isobutyraldehyde hydrogenation method isobutyraldehyde in nickel catalysis, liquid-phase hydrogenation reaction, isobutanol was prepared. Isobutyl oil, a by-product of distillation of synthetic methanol, is recovered from isobutyl oil produced by a methanol plant, and isobutyl alcohol is obtained by removing methanol, salting out and dehydrating, and azeotropic distillation. The preparation method is based on synthesis gas and propylene as raw materials, when 2-Ethylhexanol is prepared by carbonyl synthesis, isobutyraldehyde is separated to obtain isobutanol, and then isobutanol is obtained by hydrogenation.
category	flammable liquid
toxicity grade	poisoning
Acute toxicity	oral-rat LD50: 2460 mg/kg; Intraperitoneal-mouse LD50:1801 mg/kg
stimulation data	eyes-rabbit 2 mg severe
explosive hazard characteristics	explosive when mixed with air
flammability hazard characteristics	in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke
storage and transportation characteristics	The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids
extinguishing agent	dry powder, dry sand, carbon dioxide, foam
Occupational Standard	TWA 50 PPM
spontaneous combustion temperature	801 ° F.
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)
immediate life-and health-threatening concentrations	1,600 ppm

Last Update：2024-04-09 21:11:58

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Isobutyl alcohol

2-Methyl-1-propanol

CAS: 78-83-1

Molecular Formula: C4H10O

Isobutyl alcohol - Names and Identifiers

Isobutyl alcohol - Physico-chemical Properties

Isobutyl alcohol - Risk and Safety

Isobutyl alcohol - Upstream Downstream Industry

Isobutyl alcohol - Nature

Open Data Verified Data

Isobutyl alcohol - Preparation Method

Open Data Verified Data

Isobutyl alcohol - Use

Open Data Verified Data

Isobutyl alcohol - Safety

Open Data Verified Data

Isobutyl alcohol - Reference Information

Supplier List

Isobutyl alcohol Request for Quotation

2-Methyl-1-propanol

CAS: 78-83-1

Molecular Formula: C4H10O

Isobutyl alcohol - Names and Identifiers

Isobutyl alcohol - Physico-chemical Properties

Isobutyl alcohol - Risk and Safety

Isobutyl alcohol - Upstream Downstream Industry

Isobutyl alcohol - Nature

Open Data Verified Data

Isobutyl alcohol - Preparation Method

Open Data Verified Data

Isobutyl alcohol - Use

Open Data Verified Data

Isobutyl alcohol - Safety

Open Data Verified Data

Isobutyl alcohol - Reference Information

Supplier List

Isobutyl alcohol