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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.,.ALPHA.-DIMETHYLBENZYL-ISOBUTYRATE

SMILES

CC(C)C(=O)OC(C)(C)C1=CC=CC=C1

InChI

InChIKey=LQOHUFIIIKBPQC-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.,.ALPHA.-DIMETHYLBENZYL-ISOBUTYRATE
Common Name English
PHENYL DIMETHYL CARBINYL ISOBUTYRATE
Common Name English
FEMA NO. 2388
Code English
ALPHA,ALPHA-DIMETHYLBENZYL ISOBUTYRATE-
Systematic Name English
.ALPHA.,.ALPHA.-DIMETHYLBENZYL 2-METHYL-PROPANOATE
Systematic Name English
1-METHYL-1-PHENYLETHYL ISOBUTYRATE
Systematic Name English
2-PHENYLPROPAN-2-YL ISOBUTYRATE
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 1-METHYL-1-PHENYLETHYL ESTER
Common Name English
ALPHA,ALPHA-DIMETHYLBENZYL ISOBUTYRATE
Systematic Name English
PHENYLDIMETHYLCARBINYL ISOBUTYRATE
Common Name English
.ALPHA.,.ALPHA.-DIMETHYLBENZYL ISOBUTYRATE [FHFI]
Common Name English
2-PHENYLPROPAN-2-YL 2-METHYLPROPANOATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 19:46:36 GMT 2023 , Edited by admin on Fri Dec 15 19:46:36 GMT 2023
Code System Code Type Description
CAS
7774-60-9
Created by admin on Fri Dec 15 19:46:36 GMT 2023 , Edited by admin on Fri Dec 15 19:46:36 GMT 2023
PRIMARY
JECFA MONOGRAPH
1646
Created by admin on Fri Dec 15 19:46:36 GMT 2023 , Edited by admin on Fri Dec 15 19:46:36 GMT 2023
PRIMARY
FDA UNII
40AZG77VFH
Created by admin on Fri Dec 15 19:46:36 GMT 2023 , Edited by admin on Fri Dec 15 19:46:36 GMT 2023
PRIMARY
PUBCHEM
11830590
Created by admin on Fri Dec 15 19:46:36 GMT 2023 , Edited by admin on Fri Dec 15 19:46:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID1064798
Created by admin on Fri Dec 15 19:46:36 GMT 2023 , Edited by admin on Fri Dec 15 19:46:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-876-4
Created by admin on Fri Dec 15 19:46:36 GMT 2023 , Edited by admin on Fri Dec 15 19:46:36 GMT 2023
PRIMARY