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Details

Stereochemistry RACEMIC
Molecular Formula C5H12O2
Molecular Weight 104.1476
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-1,2-BUTANEDIOL

SMILES

CC(C)C(O)CO

InChI

InChIKey=HJJZIMFAIMUSBW-UHFFFAOYSA-N
InChI=1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H12O2
Molecular Weight 104.1476
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 08:09:45 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:45 GMT 2023
Record UNII
SKK32A493R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-1,2-BUTANEDIOL
Systematic Name English
3-METHYLBUTANE-1,2-DIOL, (±)-
Systematic Name English
1,2-BUTANEDIOL, 3-METHYL-
Systematic Name English
(±)-3-METHYLBUTANE-1,2-DIOL
Systematic Name English
1,2-DIHYDROXY-3-METHYLBUTANE
Systematic Name English
3-METHYLBUTANE-1,2-DIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40871392
Created by admin on Sat Dec 16 08:09:45 GMT 2023 , Edited by admin on Sat Dec 16 08:09:45 GMT 2023
PRIMARY
PUBCHEM
521280
Created by admin on Sat Dec 16 08:09:45 GMT 2023 , Edited by admin on Sat Dec 16 08:09:45 GMT 2023
PRIMARY
FDA UNII
SKK32A493R
Created by admin on Sat Dec 16 08:09:45 GMT 2023 , Edited by admin on Sat Dec 16 08:09:45 GMT 2023
PRIMARY
CAS
50468-22-9
Created by admin on Sat Dec 16 08:09:45 GMT 2023 , Edited by admin on Sat Dec 16 08:09:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-597-5
Created by admin on Sat Dec 16 08:09:45 GMT 2023 , Edited by admin on Sat Dec 16 08:09:45 GMT 2023
PRIMARY
CHEBI
65058
Created by admin on Sat Dec 16 08:09:45 GMT 2023 , Edited by admin on Sat Dec 16 08:09:45 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE