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Benzyl isovalerate

Benzyl isovalerate structure

CAS No:
103-38-8
Formula:
C12H16O2
Chemical Name:
Benzyl isovalerate
Synonyms:
Butanoic acid,3-methyl-,phenylmethyl ester;Isovaleric acid,benzyl ester;Benzyl isovalerate;Benzyl 3-methylbutyrate;Benzyl 3-methylbutanoate;Benzyl isopentanoate;NSC 46124;Phenylmethyl isovalerate
Categories:
Cosmetic Ingredient > Perfuming

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Description

colourless liquid with a powerful, fruity, apple odour

Benzyl 3-methylbutanoate is a carboxylic ester. It derives from a benzyl alcohol.

Benzyl isovalerate Basic Attributes

Molecular Weight：

192.25

Exact Mass：

192.25

EC Number：

203-106-7

UNII：

87UKH01DMA

NSC Number：

46124

DSSTox ID：

DTXSID1047603

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

3.26

Appearance：

colourless liquid with a powerful, fruity, apple odour

Density：

0.988 g/mL at 25 °C(lit.)

Boiling Point：

245 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.488(lit.)

Water Solubility：

insoluble in water; poorly soluble in glycerol, propylene glycol; soluble in oils

Vapor Pressure：

0.0294mmHg at 25°C

Toxicity：

Peritoneal-mouse LD50: 250 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic nitrogen oxides and bromide fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/38

safety instructions：

24/25-37-26

RTECS Number：

NY1415000

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

Not Classified

Toxicity

Toxicity class：

highly toxic

Benzyl isovalerate Use and Manufacturing

Methods of Manufacturing

Derived by esterification of isovaleric acid and benzyl alcohol.

Uses

GB 2760-1996 allows the use of food flavors. It is mainly used to prepare fruit flavors and tobacco flavors such as cheese and apple.

Manufacturing Info：

Butanoic acid, 3-methyl-, phenylmethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl alcohol

Ethyl isovalerate

Recommended Suppliers of Benzyl isovalerate

Tianjin Jinshu Technology Co., Ltd. Contact Supplier

CN
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Trader Supplier of peptone

Factory direct supply high purity and low price Benzyl isovalerate FCC

CAS No.: 103-38-8

Grade: Pharmaceutical Grade

Content: 99%

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Guide of Benzyl isovalerate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Benzyl isovalerate

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