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Details

Stereochemistry RACEMIC
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-THUJANOL

SMILES

CC(C)[C@]12C[C@H]1[C@](C)(O)CC2

InChI

InChIKey=KXSDPILWMGFJMM-AEJSXWLSSA-N
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Fragrance material review on 4-thujanol.
2008-11
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:45:16 GMT 2025
Edited
by admin
on Mon Mar 31 20:45:16 GMT 2025
Record UNII
DS203S42BJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-THUJANOL
FHFI  
Systematic Name English
FEMA NO. 3239
Preferred Name English
TRANS-SABINENE HYDRATE
Common Name English
(±)-TRANS-4-THUJANOL
Systematic Name English
BICYCLO(3.1.0)HEXAN-2-OL, 2-METHYL-5-(1-METHYLETHYL)-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-
Common Name English
TRANS-(±)-4-THUJANOL
Systematic Name English
BICYCLO(3.1.0)HEXAN-2-OL, 2-METHYL-5-(1-METHYLETHYL)-, (1R,2R,5S)-REL-
Common Name English
4-THUJANOL, TRANS-
Systematic Name English
4-THUJANOL [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 4-THUJANOL
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
Code System Code Type Description
FDA UNII
DS203S42BJ
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-911-7
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
ALTERNATIVE
ECHA (EC/EINECS)
241-703-4
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
PRIMARY
CAS
17699-16-0
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
PRIMARY
PUBCHEM
6326181
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID40905045
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
PRIMARY
JECFA MONOGRAPH
102
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
PRIMARY
CAS
546-79-2
Created by admin on Mon Mar 31 20:45:16 GMT 2025 , Edited by admin on Mon Mar 31 20:45:16 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY