PHENETHYL 2-ETHYLBUTANOATE

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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 2-ETHYLBUTANOATE

Structure Search

SMILES

CCC(CC)C(=O)OCCC1=CC=CC=C1

InChI

InChIKey=DKEOOFKYPNZAAZ-UHFFFAOYSA-N

InChI=1S/C14H20O2/c1-3-13(4-2)14(15)16-11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3

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 `Mon Mar 31 22:59:30 GMT 2025` Edited by `admin` on `Mon Mar 31 22:59:30 GMT 2025`
Record UNII	BAJ002YBN2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENETHYL 2-ETHYLBUTANOATE

Systematic Name

English

NSC-20052

Preferred Name

English

BUTANOIC ACID, 2-ETHYL-, 2-PHENYLETHYL ESTER

Common Name

English

Code System Code Type Description

CAS

6315-04-4

Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025

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EPA CompTox

DTXSID3064225

Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025

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ECHA (EC/EINECS)

228-643-4

Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025

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FDA UNII

BAJ002YBN2

Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025

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NSC

20052

Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025

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PUBCHEM

80585

Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025

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