PHENETHYL HEXANOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20O2
Molecular Weight	220.3074
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHENETHYL HEXANOATE

Structure Search

SMILES

CCCCCC(=O)OCCC1=CC=CC=C1

InChI

InChIKey=BUYNWUMUDHPPDS-UHFFFAOYSA-N

InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H20O2
Molecular Weight	220.3074
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:56:50 GMT 2023` Edited by `admin` on `Fri Dec 15 18:56:50 GMT 2023`
Record UNII	X7R57M68KR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PHENETHYL HEXANOATE

Systematic Name

English

BENZYLCARBINYL CAPROATE

Common Name

English

NSC-6651

Code

English

FEMA NO. 3221

Code

English

2-PHENYLETHYL HEXANOATE

Systematic Name

English

PHENETHYL HEXANOATE [FHFI]

Common Name

English

HEXANOIC ACID, 2-PHENYLETHYL ESTER

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

PHENETHYL HEXANOATE

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

Code System Code Type Description

PUBCHEM

61384

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

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FDA UNII

X7R57M68KR

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

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NSC

6651

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

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EPA CompTox

DTXSID5047584

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

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ECHA (EC/EINECS)

228-538-3

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

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JECFA MONOGRAPH

928

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

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CAS

6290-37-5

Created by admin on Fri Dec 15 18:56:51 GMT 2023 , Edited by admin on Fri Dec 15 18:56:51 GMT 2023

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