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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 P-METHYLBENZYL ACETATE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C10H12O2
Molecular Weight 164.2011
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 Fri Dec 15 18:54:41 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:41 GMT 2023
Record UNII
TA0024O8DI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-METHYLBENZYL ACETATE
Common Name English
FEMA NO. 3702, P-
Code English
P-ACETOXYMETHYLTOLUENE
Common Name English
4-METHYLBENZYL ACETATE
Systematic Name English
BENZENEMETHANOL, 4-METHYL-, ACETATE
Systematic Name English
BENZENEMETHANOL, 4-METHYL-, 1-ACETATE
Common Name English
BENZYL ALCOHOL, P-METHYL-, ACETATE
Common Name English
P-XYLYL ACETATE
Common Name English
P-TOLUBENZYL ACETATE
Common Name English
NSC-7001
Code English
Code System Code Type Description
PUBCHEM
75187
Created by admin on Fri Dec 15 18:54:41 GMT 2023 , Edited by admin on Fri Dec 15 18:54:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-689-3
Created by admin on Fri Dec 15 18:54:41 GMT 2023 , Edited by admin on Fri Dec 15 18:54:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID5051866
Created by admin on Fri Dec 15 18:54:41 GMT 2023 , Edited by admin on Fri Dec 15 18:54:41 GMT 2023
PRIMARY
FDA UNII
TA0024O8DI
Created by admin on Fri Dec 15 18:54:41 GMT 2023 , Edited by admin on Fri Dec 15 18:54:41 GMT 2023
PRIMARY
CAS
2216-45-7
Created by admin on Fri Dec 15 18:54:41 GMT 2023 , Edited by admin on Fri Dec 15 18:54:41 GMT 2023
PRIMARY
NSC
7001
Created by admin on Fri Dec 15 18:54:41 GMT 2023 , Edited by admin on Fri Dec 15 18:54:41 GMT 2023
PRIMARY