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Isobutyl isovalerate

Isobutyl isovalerate structure

CAS No:
589-59-3
Formula:
C9H18O2
Chemical Name:
Isobutyl isovalerate
Synonyms:
Butanoic acid,3-methyl-,2-methylpropyl ester;Isovaleric acid,isobutyl ester;Isobutyl isovalerate;2-Methylpropyl 3-methylbutyrate;2-Methylpropyl isovalerate;Isobutyl 3-methylbutyrate;Isobutyl isopentanoate;2-Methylpropyl 3-methylbutanoate;Isobutyl 3-methylbutanoate;NSC 6993
Categories:
Cosmetic Ingredient > Perfuming

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Description

2-Methylpropyl-3-methylbutyrate has an aroma reminiscent of apple and raspberry

colourless to pale yellow liquid

2-Methylpropyl 3-methylbutanoate is a fatty acid ester.

Isobutyl isovalerate Basic Attributes

Molecular Weight：

158.24

Exact Mass：

158.24

EC Number：

209-653-8

UNII：

6VCJ0UB168

NSC Number：

6993

DSSTox ID：

DTXSID5060431

HScode：

29156000

Characteristics

PSA：

26.3

XLogP3：

3.00

Appearance：

colourless to pale yellow liquid

Density：

0.9±0.1 g/cm3

Melting Point：

110 °C

Boiling Point：

168.5 °C

Flash Point：

57 °C

Refractive Index：

1.415

Water Solubility：

miscible with alcohol

Storage Conditions：

Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place.

Vapor Pressure：

1.84 mmHg

Safety Information

Hazard category：

Transport codes：

UN 1993C 3 / PGIII

wgk germany：

hazard class code：

36/37/38

safety instructions：

RTECS Number：

NY1506000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H226 (99.94%): 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 1645 companies from 5 notifications to the ECHA C&L Inventory.

Isobutyl isovalerate Use and Manufacturing

Uses

Flavoring and manufacture of fruit essences.

Manufacturing Info：

Butanoic acid, 3-methyl-, 2-methylpropyl ester: ACTIVE

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:158.24
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Isobutyl isovalerate

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Isobutyl isovalerate

CAS No.: 589-59-3

Content: 99.00%

Inquiry

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Guide of Isobutyl isovalerate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Isobutyl isovalerate

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