4-Methylphenyl hexanoate

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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 4-Methylphenyl hexanoate

Structure Search

SMILES

CCCCCC(=O)OC1=CC=C(C)C=C1

InChI

InChIKey=CUKVJQWRXQTFRF-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-3-4-5-6-13(14)15-12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3

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

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:33:38 GMT 2025` Edited by `admin` on `Tue Apr 01 19:33:38 GMT 2025`
Record UNII	DUK9QJQ3WY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hexanoic acid, 4-methylphenyl ester

Preferred Name

English

4-Methylphenyl hexanoate

Systematic Name

English

p-Tolyl hexanoate

Systematic Name

English

(4-methylphenyl) hexanoate

Systematic Name

English

Hexanoic acid, (4-methylphenyl) ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID9071185

Created by admin on Tue Apr 01 19:33:38 GMT 2025 , Edited by admin on Tue Apr 01 19:33:38 GMT 2025

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CAS

68141-11-7

Created by admin on Tue Apr 01 19:33:38 GMT 2025 , Edited by admin on Tue Apr 01 19:33:38 GMT 2025

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ECHA (EC/EINECS)

268-832-9

Created by admin on Tue Apr 01 19:33:38 GMT 2025 , Edited by admin on Tue Apr 01 19:33:38 GMT 2025

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PUBCHEM

109637

Created by admin on Tue Apr 01 19:33:38 GMT 2025 , Edited by admin on Tue Apr 01 19:33:38 GMT 2025

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FDA UNII

DUK9QJQ3WY

Created by admin on Tue Apr 01 19:33:38 GMT 2025 , Edited by admin on Tue Apr 01 19:33:38 GMT 2025

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