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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THUJYL ALCOHOL

SMILES

CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@@H](O)C2

InChI

InChIKey=DZVXRFMREAADPP-IMSYWVGJSA-N
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Fingerprint of selected Salvia species by HS-GC-MS analysis of their volatile fraction.
2009 Aug
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:03:07 GMT 2023
Edited
by admin
on Sat Dec 16 00:03:07 GMT 2023
Record UNII
193IW486Z8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THUJYL ALCOHOL
Systematic Name English
THUJOL, (-)-
Common Name English
THUJYL ALCOHOL, (1S,3S,4R,5R)-
Common Name English
THUJAN-4-OL [FHFI]
Common Name English
(-)-THUJOL
Common Name English
(-)-3-NEOISOTHUJANOL
Common Name English
BICYCLO(3.1.0)HEXAN-3-OL, 4-METHYL-1-(1-METHYLETHYL)-, (1S,3S,4R,5R)-
Systematic Name English
FEMA NO. 4079
Code English
BICYCLO(3.1.0)HEXAN-3-OL, 4-METHYL-1-(1-METHYLETHYL)-, (1S-(1.ALPHA.,3.ALPHA.,4.ALPHA.,5.ALPHA.))-
Common Name English
3-NEOISOTHUJANOL, (-)-
Common Name English
Code System Code Type Description
JECFA MONOGRAPH
1843
Created by admin on Sat Dec 16 00:03:07 GMT 2023 , Edited by admin on Sat Dec 16 00:03:07 GMT 2023
PRIMARY
FDA UNII
193IW486Z8
Created by admin on Sat Dec 16 00:03:07 GMT 2023 , Edited by admin on Sat Dec 16 00:03:07 GMT 2023
PRIMARY
PUBCHEM
12304610
Created by admin on Sat Dec 16 00:03:07 GMT 2023 , Edited by admin on Sat Dec 16 00:03:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-504-0
Created by admin on Sat Dec 16 00:03:07 GMT 2023 , Edited by admin on Sat Dec 16 00:03:07 GMT 2023
PRIMARY
CAS
21653-20-3
Created by admin on Sat Dec 16 00:03:07 GMT 2023 , Edited by admin on Sat Dec 16 00:03:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID80885170
Created by admin on Sat Dec 16 00:03:07 GMT 2023 , Edited by admin on Sat Dec 16 00:03:07 GMT 2023
PRIMARY