ETHYL 2,4,6-TRIMETHYLBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O2
Molecular Weight	192.2542
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 2,4,6-TRIMETHYLBENZOATE

Structure Search

SMILES

CCOC(=O)C1=C(C)C=C(C)C=C1C

InChI

InChIKey=ZXTXIZPSMQCYBN-UHFFFAOYSA-N

InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H16O2
Molecular Weight	192.2542
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 18:20:49 GMT 2025` Edited by `admin` on `Tue Apr 01 18:20:49 GMT 2025`
Record UNII	J3SE9DS73G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-229348

Preferred Name

English

ETHYL 2,4,6-TRIMETHYLBENZOATE

Systematic Name

English

ETHYL MESITOATE

Common Name

English

BENZOIC ACID, 2,4,6-TRIMETHYL-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

74465

Created by admin on Tue Apr 01 18:20:49 GMT 2025 , Edited by admin on Tue Apr 01 18:20:49 GMT 2025

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NSC

229348

Created by admin on Tue Apr 01 18:20:49 GMT 2025 , Edited by admin on Tue Apr 01 18:20:49 GMT 2025

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EPA CompTox

DTXSID60169980

Created by admin on Tue Apr 01 18:20:49 GMT 2025 , Edited by admin on Tue Apr 01 18:20:49 GMT 2025

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CAS

1754-55-8

Created by admin on Tue Apr 01 18:20:49 GMT 2025 , Edited by admin on Tue Apr 01 18:20:49 GMT 2025

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FDA UNII

J3SE9DS73G

Created by admin on Tue Apr 01 18:20:49 GMT 2025 , Edited by admin on Tue Apr 01 18:20:49 GMT 2025

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ECHA (EC/EINECS)

217-143-1

Created by admin on Tue Apr 01 18:20:49 GMT 2025 , Edited by admin on Tue Apr 01 18:20:49 GMT 2025

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