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Phenyl butyrate

Phenyl butyrate structure

CAS No:
4346-18-3
Formula:
C10H12O2
Chemical Name:
Phenyl butyrate
Synonyms:
Butanoic acid,phenyl ester;Butyric acid,phenyl ester;Phenyl butyrate;Phenyl butanoate

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Description

Colourless liquid; Sweet floral aroma

Phenyl butyrate is a member of phenols and a benzoate ester.

Phenyl butyrate Basic Attributes

Molecular Weight：

164.20100

Exact Mass：

164.20

EC Number：

224-405-9

UNII：

R9K49A127H

DSSTox ID：

DTXSID30195857

Characteristics

PSA：

26.30000

XLogP3：

2.39210

Appearance：

Colourless liquid; Sweet floral aroma

Density：

1.022 g/cm³ @ Temp: 20 °C

Boiling Point：

225 °C

Flash Point：

90.3ºC

Refractive Index：

1.497

Water Solubility：

Practically insoluble or insoluble in water; soluble in ether

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Phenyl butyrate Use and Manufacturing

Uses

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:164.20
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Phenyl butyrate

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

Phenyl butyrate

SDS

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