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Isobutanol

Isobutanol structure

CAS No:
78-83-1
Formula:
C4H10O
Chemical Name:
Isobutanol
Synonyms:
1-Propanol,2-methyl-;Isobutyl alcohol;2-Methyl-1-propanol;Isobutanol;Isopropyl carbinol;2-Methylpropyl alcohol;iso-Butyl alcohol;1-Isobutanol;NSC 5708;1-Methyl-2-propanol;1-Hydroxy-2-methylpropane
Categories:
Cosmetic Ingredient > Perfuming

Description

It is a kind of colorless transparent liquid with a special smell, soluble in water, and fully dissolved in ethanol and ether.

Isobutanol Basic Attributes

Molecular Weight：

74.12

Exact Mass：

74.12

BRN：

1730878

EC Number：

201-148-0

HScode：

29051990

Characteristics

PSA：

20.2

XLogP3：

0.8

Appearance：

APHA: ≤10 Solid

Density：

0.8018 g/cm³ @ Temp: 24 °C

Melting Point：

-108 °C

Boiling Point：

108 °C

Flash Point：

82 °F

Refractive Index：

1.393

Water Solubility：

H2O: 95 g/L (20 ºC)

Storage Conditions：

Flammables area

Vapor Pressure：

8 mm Hg ( 20 °C)

Vapor Density：

2.55 (vs air)

Toxicity：

Oral-Rat LD50: 2460 mg/kg; Abdominal cavity-mouse LD50:1801 mg/kg

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

Explosive limit：

1.5-12%(V)

Odor：

Sweet, musty odor

Taste：

Sweet whiskey taste

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1212 3/PG 3

wgk germany：

hazard class code：

10-37/38-41-67

safety instructions：

13-26-37/39-46-7/9

RTECS Number：

NP9625000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Explosive characteristics：

Explosive when mixed with air

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents, aluminium.

Precautionary statement(s)：

P210-P280-P304 + P340 + P312-P305 + P351 + P338 + P310-P403 + P235

Hazard Statements：

H226-H315-H318-H335-H336

Toxicity

Toxicity class：

moderately

Isobutanol Use and Manufacturing

Methods of Manufacturing

The preparation method is based on syngas and propylene as raw materials, and isobutyraldehyde is obtained during the preparation of 2-ethylhexanol through oxo synthesis, and then isobutanol is obtained through hydrogenation.

Uses

Used as analytical reagent, chromatographic analysis reagent, solvent and extractant; used as a raw material for organic synthesis, and also used as a high-grade solvent; isobutanol is a raw material for organic synthesis and is mainly used as an intermediate for the synthesis of diazinon in pesticides Isobutyronitrile. Organic synthesis raw materials. 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 oils and synthetic drugs. It can also be used to purify strontium, barium, lithium and other salt chemical reagents and as a high-grade solvent. Extraction solvent. GB2760-96 stipulates that it is allowed to use edible spices. Solvent. Extracting agent. Lithium chloride is extracted from the 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, chlorine and phosphite. Organic Synthesis.

Computed Properties

Molecular Weight:74.12
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:74.073164938
Monoisotopic Mass:74.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Complexity:17.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

2-Ethylhexanol

Propylene

Butanal

Hydrogen

Formaldehyde

tert-Butanol

Isobutyraldehyde

Isobutyric acid

Downstream Products

Acetone

Diisobutyl phthalate

Isobutyl isobutyrate

Price Analysis

Make your Isobutanol purchase based on the price and market insights! ECHEMI provides professional market insights with prices for you to make a better choice. Learn more on Isobutanol prices .

Data: 2026-10-14
Price: 8725.00Yuan/mt
Change: 30.0

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