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Details

Stereochemistry RACEMIC
Molecular Formula C9H20O
Molecular Weight 144.2545
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPYL-1-HEXANOL

SMILES

CCCCC(CO)CCC

InChI

InChIKey=JSUXZEJWGVYJJG-UHFFFAOYSA-N
InChI=1S/C9H20O/c1-3-5-7-9(8-10)6-4-2/h9-10H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H20O
Molecular Weight 144.2545
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 Sat Dec 16 09:37:25 GMT 2023
Edited
by admin
on Sat Dec 16 09:37:25 GMT 2023
Record UNII
CF955RW8AF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PROPYL-1-HEXANOL
Systematic Name English
1-HEXANOL, 2-PROPYL-
Systematic Name English
2-PROPYLHEXANOL-1
Systematic Name English
Code System Code Type Description
CAS
817-46-9
Created by admin on Sat Dec 16 09:37:25 GMT 2023 , Edited by admin on Sat Dec 16 09:37:25 GMT 2023
PRIMARY
PUBCHEM
102493
Created by admin on Sat Dec 16 09:37:25 GMT 2023 , Edited by admin on Sat Dec 16 09:37:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-443-9
Created by admin on Sat Dec 16 09:37:25 GMT 2023 , Edited by admin on Sat Dec 16 09:37:25 GMT 2023
PRIMARY
FDA UNII
CF955RW8AF
Created by admin on Sat Dec 16 09:37:25 GMT 2023 , Edited by admin on Sat Dec 16 09:37:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID90100213
Created by admin on Sat Dec 16 09:37:25 GMT 2023 , Edited by admin on Sat Dec 16 09:37:25 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE