2,4-Dimethylbenzyl acetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4-Dimethylbenzyl acetate

Structure Search

SMILES

CC(=O)OCC1=CC=C(C)C=C1C

InChI

InChIKey=IRJIWPLWQGRUAY-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h4-6H,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
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 22:27:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:27:00 GMT 2025`
Record UNII	VXC85SXW68
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-78658

Preferred Name

English

2,4-Dimethylbenzyl acetate

Systematic Name

English

Benzenemethanol, 2,4-dimethyl-, 1-acetate

Systematic Name

English

Benzenemethanol, 2,4-dimethyl-, acetate

Systematic Name

English

(2,4-Dimethylphenyl)methyl acetate

Systematic Name

English

2,4-DIMETHYLBENZENEMETHANOL ACETATE

Systematic Name

English

Benzyl alcohol, 2,4-dimethyl-, acetate

Systematic Name

English

Code System Code Type Description

FDA UNII

VXC85SXW68

Created by admin on Mon Mar 31 22:27:00 GMT 2025 , Edited by admin on Mon Mar 31 22:27:00 GMT 2025

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ECHA (EC/EINECS)

263-518-8

Created by admin on Mon Mar 31 22:27:00 GMT 2025 , Edited by admin on Mon Mar 31 22:27:00 GMT 2025

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EPA CompTox

DTXSID8052302

Created by admin on Mon Mar 31 22:27:00 GMT 2025 , Edited by admin on Mon Mar 31 22:27:00 GMT 2025

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CAS

62346-96-7

Created by admin on Mon Mar 31 22:27:00 GMT 2025 , Edited by admin on Mon Mar 31 22:27:00 GMT 2025

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NSC

78658

Created by admin on Mon Mar 31 22:27:00 GMT 2025 , Edited by admin on Mon Mar 31 22:27:00 GMT 2025

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PUBCHEM

94602

Created by admin on Mon Mar 31 22:27:00 GMT 2025 , Edited by admin on Mon Mar 31 22:27:00 GMT 2025

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