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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H20O
Molecular Weight 144.2545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DIMETHYL-4-HEPTANOL

SMILES

CC(C)CC(O)CC(C)C

InChI

InChIKey=HXQPUEQDBSPXTE-UHFFFAOYSA-N
InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C9H20O
Molecular Weight 144.2545
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Fragrance material review on 2,6-dimethyl-4-heptanol.
2010 Jul
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:39:16 GMT 2023
Edited
by admin
on Fri Dec 15 18:39:16 GMT 2023
Record UNII
X5ATE41R0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DIMETHYL-4-HEPTANOL
FHFI  
Systematic Name English
2,6-DIMETHYL-4-HEPTANOL [FHFI]
Common Name English
NSC-62683
Code English
FEMA NO. 3140
Code English
DIISOBUTYL CARBINOL [HSDB]
Common Name English
4-HEPTANOL, 2,6-DIMETHYL-
Systematic Name English
2,6-DIMETHYLHEPTAN-4-OL
Systematic Name English
DIISOBUTYLCARBINOL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2,6-DIMETHYL-4-HEPTANOL
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
Code System Code Type Description
PUBCHEM
7957
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID8026802
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
HSDB
5140
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
NSC
62683
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
FDA UNII
X5ATE41R0F
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
MESH
C553993
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
JECFA MONOGRAPH
386
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-619-6
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY
CAS
108-82-7
Created by admin on Fri Dec 15 18:39:16 GMT 2023 , Edited by admin on Fri Dec 15 18:39:16 GMT 2023
PRIMARY