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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O
Molecular Weight 176.2548
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-1-PHENYL-2-PENTANONE

SMILES

CC(C)CC(=O)CC1=CC=CC=C1

InChI

InChIKey=DTYGTEGDVPAKDA-UHFFFAOYSA-N
InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-METHYL-1-PHENYL-2-PENTANONE
FHFI  
Systematic Name English
FEMA NO. 2740
Code English
4-METHYL-1-PHENYL-2-PENTANONE [FHFI]
Common Name English
NSC-1268
Code English
SPICY PENTANONE
Common Name English
4-METHYL-1-PHENYLPENTAN-2-ONE
Systematic Name English
ISOBUTYL BENZYL KETONE
Systematic Name English
BENZYL ISOBUTYL KETONE
Systematic Name English
2-PENTANONE, 4-METHYL-1-PHENYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 4-METHYL-1-PHENYL-2-PENTANONE
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
226-316-0
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
PRIMARY
PUBCHEM
219672
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
PRIMARY
FDA UNII
2Z1A62342T
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
PRIMARY
CAS
5349-62-2
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID1063805
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
PRIMARY
NSC
1268
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
PRIMARY
JECFA MONOGRAPH
799
Created by admin on Fri Dec 15 18:03:45 GMT 2023 , Edited by admin on Fri Dec 15 18:03:45 GMT 2023
PRIMARY