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Butyl isobutyrate

Butyl isobutyrate structure

CAS No:
97-87-0
Formula:
C8H16O2
Chemical Name:
Butyl isobutyrate
Synonyms:
Propanoic acid,2-methyl-,butyl ester;Isobutyric acid,butyl ester;Butyl isobutyrate;n-Butyl isobutyrate;1-Butyl 2-methylpropionate;1-Butyl isobutyrate;Butyl isobutanoate;Butyl 2-methylpropanoate;Butyl 2-methylpropionate;Butyl 2-methyl-1-propanoate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Butyl isobutyrate has a strong, fresh, fruity odor (apple, banana) and sweet, pineapple-like taste.

Solid|colourless liquid/fresh fruity,apple-pineapple odour

Butylisobutyrate is a carboxylic ester.

Butyl isobutyrate Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

EC Number：

202-614-6

UNII：

PW9UJ5C0F3

DSSTox ID：

DTXSID9073888

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.98570

Appearance：

Solid

Density：

0.8721 g/cm³ @ Temp: 20 °C

Melting Point：

143 - 144ºC

Boiling Point：

154-155 °C

Flash Point：

110 °F

Refractive Index：

n20/D 1.401(lit.)

Water Solubility：

miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Toxicity：

Oral-rat LD50: > 5000 mg/kg

Flammability characteristics：

In case of heat, open flame, strong oxidant is flammable; thermal decomposition emits toxic and spicy irritating smoke

Safety Information

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

RTECS Number：

UA2466945

Marks：

Storage features：

Warehouse ventilated at low temperature and dry; fireproof, stored separately from oxidant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1639 companies from 3 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

practically nontoxic

Butyl isobutyrate Use and Manufacturing

Methods of Manufacturing

By the esterification of isobutyric acid and n-butanol in the presence of sulfuric acid.

Uses

GB 2760-96 stipulates the allowable food flavors. Mainly used to prepare pineapple, apple and berry flavors.

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:144.21
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:97.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Butyl chloride

1-Butanol

Isobutyric acid

Butyl methacrylate

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Guide of Butyl isobutyrate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

Butyl isobutyrate

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