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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H20O
Molecular Weight 156.2652
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CITRONELLOL, (S)-

SMILES

C[C@H](CCO)CCC=C(C)C

InChI

InChIKey=QMVPMAAFGQKVCJ-JTQLQIEISA-N
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H20O
Molecular Weight 156.2652
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:21:49 GMT 2023
Edited
by admin
on Fri Dec 15 19:21:49 GMT 2023
Record UNII
8RSY5Y5658
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-CITRONELLOL, (S)-
Systematic Name English
6-OCTEN-1-OL, 3,7-DIMETHYL-, (3S)-
Systematic Name English
CITRONELLOL, L-
Common Name English
(-)-(S)-CITRONELLOL
Systematic Name English
6-OCTEN-1-OL, 3,7-DIMETHYL-, (S)-
Systematic Name English
(-)-CITRONELLOL
Systematic Name English
6-OCTEN-1-OL, 3,7-DIMETHYL-, (-)-
Systematic Name English
(S)-(-)-BETA-CITRONELLOL
Systematic Name English
(S)-(-)-.BETA.-CITRONELLOL
Systematic Name English
(S)-CITRONELLOL
Systematic Name English
L-CITRONELLOL
Common Name English
(-)-.BETA.-CITRONELLOL
Systematic Name English
Code System Code Type Description
CAS
7540-51-4
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID1041550
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY
FDA UNII
8RSY5Y5658
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY
CHEBI
88
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY
PUBCHEM
7793
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY
RXCUI
2050062
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-415-7
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY
DAILYMED
8RSY5Y5658
Created by admin on Fri Dec 15 19:21:49 GMT 2023 , Edited by admin on Fri Dec 15 19:21:49 GMT 2023
PRIMARY