U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H20O2
Molecular Weight 196.286
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPULEGYL ACETATE

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(C)=O)C(C)=C

InChI

InChIKey=HLHIVJRLODSUCI-ADEWGFFLSA-N
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOPULEGYL ACETATE
FHFI  
Common Name English
ISOPULEGYL ACETATE [FHFI]
Common Name English
FEMA NO. 2965
Code English
NSC-403868
Code English
CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-, 1-ACETATE, (1R,2S,5R)-
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
JECFA EVALUATION ISOPULEGYL ACETATE
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
Code System Code Type Description
FDA UNII
R3C4VQ5WQM
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
PRIMARY
JECFA MONOGRAPH
616
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
PRIMARY
NSC
403868
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
PRIMARY
PUBCHEM
94579
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
PRIMARY
CAS
57576-09-7
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID60904398
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
260-820-1
Created by admin on Fri Dec 15 19:09:20 GMT 2023 , Edited by admin on Fri Dec 15 19:09:20 GMT 2023
PRIMARY