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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 ISOBUTYL PHENYLACETATE

SMILES

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

InChI

InChIKey=RJASFPFZACBKBE-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

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

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:47:41 GMT 2025
Edited
by admin
on Mon Mar 31 18:47:41 GMT 2025
Record UNII
2QK898564G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL PHENYLACETATE
FCC   FHFI  
Systematic Name English
FEMA NO. 2210
Preferred Name English
ISOBUTYL PHENYLACETATE [FHFI]
Common Name English
BENZENEACETIC ACID, 2-METHYLPROPYL ESTER
Common Name English
2-METHYLPROPYL PHENYLACETATE
Systematic Name English
ISOBUTYL .ALPHA.-TOLUATE
Systematic Name English
ISOBUTYL PHENYLACETATE [FCC]
Common Name English
NSC-6602
Code English
ACETIC ACID, PHENYL-, ISOBUTYL ESTER
Common Name English
PHENYLACETIC ACID, ISOBUTYL ESTER
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
JECFA EVALUATION ISOBUTYL PHENYLACETATE
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
203-007-9
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
CAS
102-13-6
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
JECFA MONOGRAPH
946
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
FDA UNII
2QK898564G
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
PUBCHEM
60998
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
EVMPD
SUB178196
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
NSC
6602
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
SMS_ID
100000163878
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID6051512
Created by admin on Mon Mar 31 18:47:41 GMT 2025 , Edited by admin on Mon Mar 31 18:47:41 GMT 2025
PRIMARY