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

Details

Stereochemistry RACEMIC
Molecular Formula C12H20O2
Molecular Weight 196.286
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISODIHYDROCARVEOL ACETATE

SMILES

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

InChI

InChIKey=TUSIZTVSUSBSQI-WCQGTBRESA-N
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H20O2
Molecular Weight 196.286
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Changes of the volatile profile and artifact formation in Daidai (Citrus aurantium) cold-pressed peel oil on storage.
2003 Jul 2
Olfactory discrimination ability of human subjects for enantiomers with an isopropenyl group at the chiral center.
2004 Feb
The number of functional olfactory receptor genes and the relative size of olfactory brain structures are poor predictors of olfactory discrimination performance with enantiomers.
2005 Feb
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:35:55 GMT 2023
Edited
by admin
on Sat Dec 16 00:35:55 GMT 2023
Record UNII
IP0S4DXY8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISODIHYDROCARVEOL ACETATE
Common Name English
CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, 1-ACETATE, (1R,2R,5S)-REL-
Common Name English
ISO-DIHYDROCARVYL ACETATE
Common Name English
CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, ACETATE, (1R,2R,5S)-REL-
Common Name English
ISODIHYDROCARVEOL ACETATE, (±)-
Common Name English
(±)-ISODIHYDROCARVEOL ACETATE
Common Name English
Code System Code Type Description
CAS
220329-20-4
Created by admin on Sat Dec 16 00:35:55 GMT 2023 , Edited by admin on Sat Dec 16 00:35:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID90176501
Created by admin on Sat Dec 16 00:35:55 GMT 2023 , Edited by admin on Sat Dec 16 00:35:55 GMT 2023
PRIMARY
PUBCHEM
1268040
Created by admin on Sat Dec 16 00:35:55 GMT 2023 , Edited by admin on Sat Dec 16 00:35:55 GMT 2023
PRIMARY
FDA UNII
IP0S4DXY8J
Created by admin on Sat Dec 16 00:35:55 GMT 2023 , Edited by admin on Sat Dec 16 00:35:55 GMT 2023
PRIMARY