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2-Phenylethyl butanoate

2-Phenylethyl butanoate structure

CAS No:
103-52-6
Formula:
C12H16O2
Chemical Name:
2-Phenylethyl butanoate
Synonyms:
Butanoic acid,2-phenylethyl ester;Butyric acid,phenethyl ester;Phenethyl alcohol,butyrate;Benzylcarbinyl butyrate;Phenethyl butyrate;2-Phenylethyl butyrate;2-Phenylethyl butanoate;2-Phenethyl butanoate;Phenethyl butanoate;2-Phenylethyl n-butyrate;NSC 406207
Categories:
Cosmetic Ingredient > Perfuming

Description

Colourless liquid; warm, floral and fruity odour

Phenethyl butyrate is the butanoate ester of 2-phenylethanol. It has a role as a metabolite. It derives from a 2-phenylethanol.

2-Phenylethyl butanoate Basic Attributes

Molecular Weight：

192.25

Exact Mass：

192.25

EC Number：

203-119-8

UNII：

02E08ZN98R

NSC Number：

406207|1271

DSSTox ID：

DTXSID6047604

Characteristics

PSA：

26.3

XLogP3：

3.36

Appearance：

Colourless liquid; warm, floral and fruity odour

Density：

0.9905 g/cm³ @ Temp: 20 °C

Boiling Point：

238 °C

Flash Point：

>230 °F

Refractive Index：

1.497

Water Solubility：

Insoluble in water; soluble in oils

Vapor Pressure：

0.00703mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

ET5956200

2-Phenylethyl butanoate Use and Manufacturing

Methods of Manufacturing

It is made by esterification of phenethyl alcohol and n-butyrate.

Uses

GB 2760-96 stipulates the allowable food flavors. It is mainly used to prepare strawberry, raspberry, peach, apple, pineapple, cream and honey flavors and wine flavors.

Manufacturing Info：

Butanoic acid, 2-phenylethyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzene

Recommended Suppliers of 2-Phenylethyl butanoate

Hainan Flying International Trade Co., L Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of vitamin

Phenethyl butyrate 103-52-6

CAS No.: 103-52-6

Grade: Pharmaceutical Grade

Content: 99%

Inquiry

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Guide of 2-Phenylethyl butanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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2-Phenylethyl butanoate

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