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Details

Stereochemistry RACEMIC
Molecular Formula C12H20O2
Molecular Weight 196.286
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPHORYL ACRYLATE

SMILES

CC1CC(CC(C)(C)C1)OC(=O)C=C

InChI

InChIKey=ZMTBGVBNTHTBEC-UHFFFAOYSA-N
InChI=1S/C12H20O2/c1-5-11(13)14-10-6-9(2)7-12(3,4)8-10/h5,9-10H,1,6-8H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C12H20O2
Molecular Weight 196.286
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:22:09 GMT 2025
Edited
by admin
on Wed Apr 02 11:22:09 GMT 2025
Record UNII
QQ3S6CM5VF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPHORYL ACRYLATE
Common Name English
NSC-72762
Preferred Name English
3,3,5-TRIMETHYLCYCLOHEXYL 2-PROPENOATE
Common Name English
3,3,5-TRIMETHYLCYCLOHEXYL ACRYLATE
Common Name English
(3,3,5-TRIMETHYLCYCLOHEXYL) PROP-2-ENOATE
Common Name English
3,3,5-TRIMETHYLCYCLOHEXYL PROP-2-ENOATE
Common Name English
ACRYLIC ACID, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER
Systematic Name English
2-PROPENOIC ACID, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
QQ3S6CM5VF
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
289-200-9
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
PUBCHEM
98056
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID30888671
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
CAS
86178-38-3
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
NSC
72762
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY