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

Details

Stereochemistry MIXED
Molecular Formula C20H40O
Molecular Weight 296.531
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPHYTOL

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C

InChI

InChIKey=KEVYVLWNCKMXJX-UHFFFAOYSA-N
InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

HIDE SMILES / InChI

Molecular Formula C20H40O
Molecular Weight 296.531
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Fragrance material review on isophytol.
2010-01
Application of histograms in evaluation of large collections of gas chromatographic retention indices.
2009-09-18
Sesquiterpene and acyclic diterpenes from Hyptis verticillata Jacq.
2009-03
Novel sol-gel synthesis of acidic MgF(2-x)(OH)(x) materials.
2008
[Studies on chemical constituents of green algae Ulva pertusa].
2007-08
Trimethylsilyl pentafluorophenylbis(trifluoromethanesulfonyl)methide as a super Lewis acid catalyst for the condensation of trimethylhydroquinone with isophytol.
2003-12-01
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:04:45 GMT 2025
Edited
by admin
on Mon Mar 31 20:04:45 GMT 2025
Record UNII
A831ZI6VIM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-93744
Preferred Name English
ISOPHYTOL
HSDB   MI  
Common Name English
ISOPHYTOL [HSDB]
Common Name English
ISOPHYTOL [MI]
Common Name English
1-HEXADECEN-3-OL, 3,7,11,15-TETRAMETHYL-
Systematic Name English
3,7,11,15-TETRAMETHYLHEXADEC-1-EN-3-OL
Systematic Name English
2,6,10-TRIMETHYL-14-VINYLPENTADECAN-14-OL
Systematic Name English
2,6,10,14-TETRAMETHYLHEXADEC-15-EN-14-OL
Systematic Name English
Code System Code Type Description
NSC
93744
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
CAS
505-32-8
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
PUBCHEM
10453
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
EVMPD
SUB41332
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
FDA UNII
A831ZI6VIM
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
SMS_ID
100000130096
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
WIKIPEDIA
Isophytol
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID2025474
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
MESH
C549875
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-008-8
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
HSDB
5673
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY
MERCK INDEX
m6514
Created by admin on Mon Mar 31 20:04:45 GMT 2025 , Edited by admin on Mon Mar 31 20:04:45 GMT 2025
PRIMARY Merck Index