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3-Phenylpropyl acetate

3-Phenylpropyl acetate structure

CAS No:
122-72-5
Formula:
C11H14O2
Chemical Name:
3-Phenylpropyl acetate
Synonyms:
Benzenepropanol,1-acetate;1-Propanol,3-phenyl-,acetate;Benzenepropanol,acetate;Hydrocinnamyl acetate;3-Acetoxy-1-phenylpropane;γ-Phenylpropyl acetate;3-Phenylpropyl acetate;(3-Acetoxypropyl)benzene;1-Acetoxy-3-phenylpropane;3-Phenyl-1-propanol acetate;3-Phenyl-1-propyl acetate;Acetic acid 3-phenylpropyl ester;NSC 404453;1335-15-5;143601-14-3
Categories:
Cosmetic Ingredient > Perfuming

Description

Colourless liquid, floral spicy odour

3-phenylpropyl acetate is the acetate ester of 3-phenylpropan-1-ol. It has a role as a metabolite and a fragrance. It is a member of benzenes and an acetate ester.

3-Phenylpropyl acetate Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.23

EC Number：

204-569-8

UNII：

AKW166708I

NSC Number：

404453

DSSTox ID：

DTXSID2047648

HScode：

2915390090

Characteristics

PSA：

26.3

XLogP3：

2.5

Appearance：

Colourless liquid, floral spicy odour

Density：

1.0242 g/cm³ @ Temp: 27 °C

Melting Point：

-60 °C

Boiling Point：

87 °C @ Press: 1 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.496(lit.)

Water Solubility：

insoluble in water; soluble in oils

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.0106mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

UB9000000

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

3-phenylpropyl acetate

3-Phenylpropyl acetate Use and Manufacturing

Methods of Manufacturing

Derived from acetylation of phenylpropanol

Uses

GB 2760-1996 stipulates the allowable food flavors. Mainly used to prepare honey, peach, apricot, gooseberry and other flavors.

Manufacturing Info：

Benzenepropanol, 1-acetate: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:178.23
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium acetate

Acetic acid

Recommended Suppliers of 3-Phenylpropyl acetate

Jinshu Peptide Co.,Ltd Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of peptone

Hot selling factory direct supply 3-phenylpropyl acetate with high quality

CAS No.: 122-72-5

Grade: Pharmaceutical Grade

Content: 99%

Inquiry

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Guide of 3-Phenylpropyl acetate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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3-Phenylpropyl acetate

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