4-THUJANOL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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

Structure Search

SMILES

[H][C@@]12C[C@@]1(CC[C@@]2(C)O)C(C)C

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Fragrance material review on 4-thujanol.	2008 Nov	18640194

Name

Type

Language

4-THUJANOL

Systematic 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

FEMA NO. 3239

Code

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 Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

Code System Code Type Description

FDA UNII

DS203S42BJ

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

PRIMARY

ECHA (EC/EINECS)

208-911-7

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

ALTERNATIVE

ECHA (EC/EINECS)

241-703-4

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

PRIMARY

CAS

17699-16-0

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

PRIMARY

PUBCHEM

6326181

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

PRIMARY

EPA CompTox

DTXSID40905045

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

PRIMARY

JECFA MONOGRAPH

102

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

PRIMARY

CAS

546-79-2

Created by admin on Sat Dec 16 01:09:12 GMT 2023 , Edited by admin on Sat Dec 16 01:09:12 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

SUBSTANCE RECORD


					DS203S42BJ