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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 P-CRESYL ISOVALERATE

SMILES

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

InChI

InChIKey=MVDPTWHTUYDLTL-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3

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

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:59:34 GMT 2023
Edited
by admin
on Fri Dec 15 18:59:34 GMT 2023
Record UNII
C8JG0XTQ0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-CRESYL ISOVALERATE
Common Name English
P-CRESYL 3-METHYLBUTANOATE
Common Name English
CRESYL ISOVALERATE, P-
Common Name English
FEMA NO. 3387
Code English
4-METHYLPHENYL 3-METHYLBUTANOATE
Systematic Name English
PARA-TOLYL-3-METHYL BUTYRATE
FHFI  
Common Name English
NSC-32511
Code English
PARA-TOLYL-3-METHYL BUTYRATE [FHFI]
Common Name English
P-TOLYL ISOVALERATE
Common Name English
BUTANOIC ACID, 3-METHYL-, 4-METHYLPHENYL ESTER
Common Name English
P-TOLYL 3-METHYLBUTYRATE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION P-TOLYL 3-METHYLBUTYRATE
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID6047159
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
PRIMARY
CAS
55066-56-3
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
PRIMARY
JECFA MONOGRAPH
581
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
PRIMARY
NSC
32511
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
PRIMARY
FDA UNII
C8JG0XTQ0Z
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
PRIMARY
PUBCHEM
62092
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-465-5
Created by admin on Fri Dec 15 18:59:34 GMT 2023 , Edited by admin on Fri Dec 15 18:59:34 GMT 2023
PRIMARY