3-PHENYLPROPYL ACETATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-PHENYLPROPYL ACETATE

Structure Search

SMILES

CC(=O)OCCCC1=CC=CC=C1

InChI

InChIKey=JRJGKUTZNBZHNK-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Toxicity of cassia and cinnamon oil compounds and cinnamaldehyde-related compounds to Sitophilus oryzae (Coleoptera: Curculionidae).	2008 Dec	19133480

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:45:59 UTC 2023` Edited by `admin` on `Fri Dec 15 16:45:59 UTC 2023`
Record UNII	AKW166708I
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-PHENYLPROPYL ACETATE

Systematic Name

English

HYDROCINNAMYL ACETATE

Systematic Name

English

FEMA NO. 2890

Code

English

3-PHENYLPROPYL ACETATE [FHFI]

Common Name

English

1-PROPANOL, 3-PHENYL-, ACETATE

Systematic Name

English

BENZENEPROPANOL, 1-ACETATE

Common Name

English

3-PHENYLPROPYL ACETATE [FCC]

Common Name

English

NSC-404453

Code

English

Classification Tree Code System Code

JECFA EVALUATION

3-PHENYLPROPYL ACETATE

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

204-569-8

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY

EPA CompTox

DTXSID2047648

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY

FDA UNII

AKW166708I

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY

NSC

404453

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY

PUBCHEM

31226

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY

JECFA MONOGRAPH

173

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY

CAS

122-72-5

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY

CHEBI

81257

Created by admin on Fri Dec 15 16:45:59 UTC 2023 , Edited by admin on Fri Dec 15 16:45:59 UTC 2023

PRIMARY