U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-METHYLBENZYL ACETATE

SMILES

CC(=O)OCC1=CC(C)=CC=C1

InChI

InChIKey=QPTQLFCBVFKFLY-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
M-METHYLBENZYL ACETATE
Systematic Name English
3-METHYLBENZYL ACETATE
Systematic Name English
BENZYL ALCOHOL, M-METHYL-, ACETATE
Systematic Name English
ACETIC ACID, (3-METHYLPHENYL)METHYL ESTER
Common Name English
FEMA NO. 3702, M
Code English
M-(ACETOXYMETHYL)TOLUENE
Systematic Name English
BENZENEMETHANOL, 3-METHYL-, ACETATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
241-401-2
Created by admin on Fri Dec 15 18:50:08 GMT 2023 , Edited by admin on Fri Dec 15 18:50:08 GMT 2023
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EPA CompTox
DTXSID60169642
Created by admin on Fri Dec 15 18:50:08 GMT 2023 , Edited by admin on Fri Dec 15 18:50:08 GMT 2023
PRIMARY
FDA UNII
T1J7W77U7V
Created by admin on Fri Dec 15 18:50:08 GMT 2023 , Edited by admin on Fri Dec 15 18:50:08 GMT 2023
PRIMARY
PUBCHEM
87083
Created by admin on Fri Dec 15 18:50:08 GMT 2023 , Edited by admin on Fri Dec 15 18:50:08 GMT 2023
PRIMARY
CAS
17369-57-2
Created by admin on Fri Dec 15 18:50:08 GMT 2023 , Edited by admin on Fri Dec 15 18:50:08 GMT 2023
PRIMARY