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Isopropyl isovalerate

Isopropyl isovalerate structure

CAS No:
32665-23-9
Formula:
C8H16O2
Chemical Name:
Isopropyl isovalerate
Synonyms:
Butanoic acid,3-methyl-,1-methylethyl ester;Isovaleric acid,isopropyl ester;Isopropyl isovalerate;Isopropyl 3-methylbutyrate;626-54-0
Categories:
Cosmetic Ingredient > Perfuming

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Description

Isopropyl isovalerate has an ether-like odor similar to the n-propyl ester and a sweet, apple-like taste.

colourless to pale yellow liquid

Isopropyl 3-methylbutanoate is a fatty acid ester.

Isopropyl isovalerate Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

EC Number：

251-145-3

UNII：

7EVG31L4J8

DSSTox ID：

DTXSID6067707

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.98410

Density：

0.874g/cm3

Melting Point：

-63.35°C (estimate)

Boiling Point：

142 °C

Flash Point：

34.7ºC

Refractive Index：

1.409

Water Solubility：

412.1 mg/L @ 25 °C (est)|insoluble in water; soluble in most organic solvents

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

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 114 companies from 1 notifications to the ECHA C&L Inventory.

Isopropyl isovalerate Use and Manufacturing

Methods of Manufacturing

It is derived from the pressure reaction of isobutylene and isopropanol in the presence of CO and HF.

Uses

Spices for food.

Manufacturing Info：

Butanoic acid, 3-methyl-, 1-methylethyl ester: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:144.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutylene

Isopropanol

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Isopropyl octanoate Formula

5458-59-3
Isopropyl hexanoate Structure

2311-46-8
Isopropyl decanoate Structure

2311-59-3
What is 2,4,5-T Isopropyl ester

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What is 2-(2-CHLORO-ACETYLAMINO)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ISOPROPYL ESTER

560080-98-0

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Guide of Isopropyl isovalerate

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

Isopropyl isovalerate

SDS

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