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Phenylethyl isovalerate

Phenylethyl isovalerate structure

CAS No:
140-26-1
Formula:
C13H18O2
Chemical Name:
Phenylethyl isovalerate
Synonyms:
Butanoic acid,3-methyl-,2-phenylethyl ester;Isovaleric acid,phenethyl ester;Phenethyl isovalerate;Phenylethyl isovalerate;Phenylethyl 3-methylbutyrate;β-Phenylethyl isovalerate;2-Phenylethyl 3-methylbutanoate;2-Phenylethyl isovalerate;2-Phenylethyl 3-methylbutyrate;NSC 21899;Phenylethyl 3-methylbutanoate
Categories:
Cosmetic Ingredient > Perfuming

Description

CLEAR COLOURLESS LIQUID FEMA 2871 has been identified as a volatile aroma component of peppermint oils. The fruitiness of its odor is even more pronounced than that of the isobutyrate. It is used in small quantities for the same purposes as phenylethyl isobutyrate. Phenethyl isovalerate has a fruity (rose-like) odor and a bittersweet flavor, reminiscent of peach. It is not very stable.

Colourless to slighty yellow liquid; fruity or rose-like odour

Phenylethyl isovalerate Basic Attributes

Molecular Weight：

206.28

Exact Mass：

206.28

EC Number：

205-406-3

UNII：

K86JE60K0L

NSC Number：

21899

DSSTox ID：

DTXSID2059693

HScode：

29156000

Characteristics

PSA：

26.3

XLogP3：

3.71

Appearance：

Clear colourless liquid

Density：

0.9791 g/cm³ @ Temp: 20 °C

Boiling Point：

264 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.485(lit.)

Water Solubility：

16.47 mg/L @ 25 °C (est)|Insoluble in water; soluble in oils|1 mL in 3 ml 80% ethanol (in ethanol)

Vapor Pressure：

0.00347mmHg at 25°C

Toxicity：

LD50 orl-rat: 6220 mg/kg VPITAR 33(5),48,74

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

NY1511500

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

2-phenylethyl 3-methylbutanoate

Phenylethyl isovalerate Use and Manufacturing

Methods of Manufacturing

Directly esterified by phenylethyl alcohol and isovaleric acid.

Uses

It can be used in fruity, floral, balsamic, oriental, and other fragrance formulas. It is most suitable for chrysanthemum type. It can be used in a small amount with phenylethanol for roses, and a small amount is used in osmanthus, violet and other fragrance types. The effect of multiple rhymes can be used in the fragrance, pine needle and forest fragrance types to provide a floral fragrance. It can be used in a small amount, and it is also an important spice for preparing tobacco flavors.

Manufacturing Info：

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

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:206.28
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Phenylethyl isovalerate

Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

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Trader Supplier of PVC resin,pvc paste resin,melamine

2-PhenylethylIsovalerate 99% see COA kanbei

CAS No.: 140-26-1

Content: 99%

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Isobornyl isovalerate Structure

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What is Geranyl isovalerate

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What is Isoamyl isovalerate

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Guide of Phenylethyl isovalerate

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

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