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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24O2
Molecular Weight 248.3606
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYLBENZYL CARBINYL HEXANOATE

SMILES

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

InChI

InChIKey=IRKDZQZMTAKZKQ-UHFFFAOYSA-N
InChI=1S/C16H24O2/c1-4-5-7-12-15(17)18-16(2,3)13-14-10-8-6-9-11-14/h6,8-11H,4-5,7,12-13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H24O2
Molecular Weight 248.3606
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 19:46:03 GMT 2023
Edited
by admin
on Fri Dec 15 19:46:03 GMT 2023
Record UNII
DQA6X1461S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYLBENZYL CARBINYL HEXANOATE
FHFI  
Common Name English
HEXANOIC ACID, 1,1-DIMETHYL-2-PHENYLETHYL ESTER
Common Name English
2-METHYL-1-PHENYLPROPAN-2-YL HEXANOATE
Systematic Name English
DIMETHYLBENZYL CARBINYL HEXANOATE [FHFI]
Common Name English
FEMA NO. 4404
Code English
.ALPHA.,.ALPHA.- DIMETHYL PHENETHYL HEXANOATE
Common Name English
1,1-DIMETHYL-2-PHENYLETHYL HEXANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
DQA6X1461S
Created by admin on Fri Dec 15 19:46:03 GMT 2023 , Edited by admin on Fri Dec 15 19:46:03 GMT 2023
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JECFA MONOGRAPH
2004
Created by admin on Fri Dec 15 19:46:03 GMT 2023 , Edited by admin on Fri Dec 15 19:46:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID70237563
Created by admin on Fri Dec 15 19:46:03 GMT 2023 , Edited by admin on Fri Dec 15 19:46:03 GMT 2023
PRIMARY
CAS
891781-90-1
Created by admin on Fri Dec 15 19:46:03 GMT 2023 , Edited by admin on Fri Dec 15 19:46:03 GMT 2023
PRIMARY
PUBCHEM
71587848
Created by admin on Fri Dec 15 19:46:03 GMT 2023 , Edited by admin on Fri Dec 15 19:46:03 GMT 2023
PRIMARY