2-PHENOXYETHYL PENTANOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O3
Molecular Weight	222.2802
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-PHENOXYETHYL PENTANOATE

Structure Search

SMILES

CCCCC(=O)OCCOC1=CC=CC=C1

InChI

InChIKey=VTDVFBXXQCGSIB-UHFFFAOYSA-N

InChI=1S/C13H18O3/c1-2-3-9-13(14)16-11-10-15-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H18O3
Molecular Weight	222.2802
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 `Tue Apr 01 19:37:41 GMT 2025` Edited by `admin` on `Tue Apr 01 19:37:41 GMT 2025`
Record UNII	7YW24WC8TG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-21876

Preferred Name

English

2-PHENOXYETHYL PENTANOATE

Systematic Name

English

PENTANOIC ACID, 2-PHENOXYETHYL ESTER

Common Name

English

VALERIC ACID, 2-PHENOXYETHYL ESTER

Systematic Name

English

ETHANOL, 2-PHENOXY-, VALERATE

Systematic Name

English

Code System Code Type Description

CAS

23495-13-8

Created by admin on Tue Apr 01 19:37:41 GMT 2025 , Edited by admin on Tue Apr 01 19:37:41 GMT 2025

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NSC

21876

Created by admin on Tue Apr 01 19:37:41 GMT 2025 , Edited by admin on Tue Apr 01 19:37:41 GMT 2025

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EPA CompTox

DTXSID0066901

Created by admin on Tue Apr 01 19:37:41 GMT 2025 , Edited by admin on Tue Apr 01 19:37:41 GMT 2025

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FDA UNII

7YW24WC8TG

Created by admin on Tue Apr 01 19:37:41 GMT 2025 , Edited by admin on Tue Apr 01 19:37:41 GMT 2025

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PUBCHEM

90122

Created by admin on Tue Apr 01 19:37:41 GMT 2025 , Edited by admin on Tue Apr 01 19:37:41 GMT 2025

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