4-(3-Oxobutyl)phenyl butyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18O3
Molecular Weight	234.2909
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(3-Oxobutyl)phenyl butyrate

Structure Search

SMILES

CCCC(=O)OC1=CC=C(CCC(C)=O)C=C1

InChI

InChIKey=HFHMAFJEDGPVNB-UHFFFAOYSA-N

InChI=1S/C14H18O3/c1-3-4-14(16)17-13-9-7-12(8-10-13)6-5-11(2)15/h7-10H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C14H18O3
Molecular Weight	234.2909
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 19:23:10 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:10 GMT 2025`
Record UNII	X2E3XS3QPN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-39440

Preferred Name

English

4-(3-Oxobutyl)phenyl butyrate

Systematic Name

English

[4-(3-Oxobutyl)phenyl] butanoate

Systematic Name

English

Butyric acid, ester with 4-(p-hydroxyphenyl)-2-butanone

Common Name

English

Butanoic acid, 4-(3-oxobutyl)phenyl ester

Systematic Name

English

4-(4-(Butyryloxy)phenyl)-2-butanone

Systematic Name

English

Code System Code Type Description

CAS

72727-70-9

Created by admin on Tue Apr 01 19:23:10 GMT 2025 , Edited by admin on Tue Apr 01 19:23:10 GMT 2025

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PUBCHEM

95848

Created by admin on Tue Apr 01 19:23:10 GMT 2025 , Edited by admin on Tue Apr 01 19:23:10 GMT 2025

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NSC

39440

Created by admin on Tue Apr 01 19:23:10 GMT 2025 , Edited by admin on Tue Apr 01 19:23:10 GMT 2025

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FDA UNII

X2E3XS3QPN

Created by admin on Tue Apr 01 19:23:10 GMT 2025 , Edited by admin on Tue Apr 01 19:23:10 GMT 2025

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ECHA (EC/EINECS)

276-803-7

Created by admin on Tue Apr 01 19:23:10 GMT 2025 , Edited by admin on Tue Apr 01 19:23:10 GMT 2025

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EPA CompTox

DTXSID3072587

Created by admin on Tue Apr 01 19:23:10 GMT 2025 , Edited by admin on Tue Apr 01 19:23:10 GMT 2025

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