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Details

Stereochemistry RACEMIC
Molecular Formula C7H16O
Molecular Weight 116.2013
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-3-HEXANOL

SMILES

CCCC(O)C(C)C

InChI

InChIKey=RGRUUTLDBCWYBL-UHFFFAOYSA-N
InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H16O
Molecular Weight 116.2013
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:28:04 GMT 2025
Edited
by admin
on Mon Mar 31 22:28:04 GMT 2025
Record UNII
03F9K11C7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-91501
Preferred Name English
2-METHYL-3-HEXANOL
Systematic Name English
5-METHYL-4-HEXANOL
Systematic Name English
1-ISOPROPYLBUTYL ALCOHOL
Systematic Name English
(±)-2-METHYL-3-HEXANOL
Systematic Name English
2-METHYLHEXAN-3-OL
Systematic Name English
1-ISOPROPYL-1-BUTANOL
Systematic Name English
Code System Code Type Description
NSC
91501
Created by admin on Mon Mar 31 22:28:04 GMT 2025 , Edited by admin on Mon Mar 31 22:28:04 GMT 2025
PRIMARY
PUBCHEM
12040
Created by admin on Mon Mar 31 22:28:04 GMT 2025 , Edited by admin on Mon Mar 31 22:28:04 GMT 2025
PRIMARY
FDA UNII
03F9K11C7W
Created by admin on Mon Mar 31 22:28:04 GMT 2025 , Edited by admin on Mon Mar 31 22:28:04 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-508-6
Created by admin on Mon Mar 31 22:28:04 GMT 2025 , Edited by admin on Mon Mar 31 22:28:04 GMT 2025
PRIMARY
CAS
617-29-8
Created by admin on Mon Mar 31 22:28:04 GMT 2025 , Edited by admin on Mon Mar 31 22:28:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID90862295
Created by admin on Mon Mar 31 22:28:04 GMT 2025 , Edited by admin on Mon Mar 31 22:28:04 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE