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2-Phenylethyl formate

2-Phenylethyl formate structure

CAS No:
104-62-1
Formula:
C9H10O2
Chemical Name:
2-Phenylethyl formate
Synonyms:
Formic acid,2-phenylethyl ester;Phenethyl alcohol,formate;Formic acid,phenethyl ester;Benzylcarbinyl formate;Phenethyl formate;β-Phenylethyl formate;2-Phenylethyl formate;2-Phenethyl formate;β-Phenethyl formate;NSC 404456
Categories:
Cosmetic Ingredient > Perfuming

Description

Colourless liquid; colourless to slightly yellow liquid; powerful, green-herbaceous, rosy odour

2-phenylethyl formate is a formate ester of 2-phenylethanol. It has a role as a metabolite. It derives from a 2-phenylethanol.

2-Phenylethyl formate Basic Attributes

Molecular Weight：

150.17

Exact Mass：

150.17

EC Number：

203-220-7

UNII：

3X97A637DJ

NSC Number：

404456

DSSTox ID：

DTXSID2059300

HScode：

2915120000

Characteristics

PSA：

26.30000

XLogP3：

2.03800

Appearance：

Colourless liquid; colourless to slightly yellow liquid; powerful, green-herbaceous, rosy odour

Density：

1.058 g/mL at 25 °C(lit.)

Boiling Point：

86-90 °C @ Press: 14 Torr

Flash Point：

196 °F

Refractive Index：

n20/D 1.5075(lit.)

Water Solubility：

Slighty soluble in water

Vapor Pressure：

0.0505mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

safety instructions：

36/37

RTECS Number：

LQ9400000

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

Not Classified

2-Phenylethyl formate Use and Manufacturing

Methods of Manufacturing

Derived by direct esterification of phenethyl alcohol and formic acid.

Manufacturing Info：

Formic 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:150.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:150.068079557
Monoisotopic Mass:150.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Phenylethyl formate

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

2-Phenylethyl formate

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