PHENETHYL VALERATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O2
Molecular Weight	206.2808
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHENETHYL VALERATE

Structure Search

SMILES

CCCCC(=O)OCCC1=CC=CC=C1

InChI

InChIKey=PDGPIBIURNPBSE-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H18O2
Molecular Weight	206.2808
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:05:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:05:47 GMT 2025`
Record UNII	ZXI2952JET
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PHENETHYL VALERATE

Systematic Name

English

NSC-404213

Preferred Name

English

PENTANOIC ACID, 2-PHENYLETHYL ESTER

Common Name

English

2-PHENETHYL PENTANOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

81964

Created by admin on Mon Mar 31 19:05:47 GMT 2025 , Edited by admin on Mon Mar 31 19:05:47 GMT 2025

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EPA CompTox

DTXSID9064712

Created by admin on Mon Mar 31 19:05:47 GMT 2025 , Edited by admin on Mon Mar 31 19:05:47 GMT 2025

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ECHA (EC/EINECS)

231-246-9

Created by admin on Mon Mar 31 19:05:47 GMT 2025 , Edited by admin on Mon Mar 31 19:05:47 GMT 2025

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FDA UNII

ZXI2952JET

Created by admin on Mon Mar 31 19:05:47 GMT 2025 , Edited by admin on Mon Mar 31 19:05:47 GMT 2025

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CAS

7460-74-4

Created by admin on Mon Mar 31 19:05:47 GMT 2025 , Edited by admin on Mon Mar 31 19:05:47 GMT 2025

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NSC

404213

Created by admin on Mon Mar 31 19:05:47 GMT 2025 , Edited by admin on Mon Mar 31 19:05:47 GMT 2025

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