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Details

Stereochemistry RACEMIC
Molecular Formula C4H10O2
Molecular Weight 90.121
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-BUTANEDIOL

SMILES

CCC(O)CO

InChI

InChIKey=BMRWNKZVCUKKSR-UHFFFAOYSA-N
InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H10O2
Molecular Weight 90.121
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
DNA adducts of acrolein: site-specific synthesis of an oligodeoxynucleotide containing 6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one, an acrolein adduct of guanine.
2002 May
Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D.
2003
Stepwise conformational cooling towards a single isomeric state in the four internal rotors system 1,2-butanediol.
2006 Dec 7
Differentiating subtle variation of weak intramolecular hydrogen bond in vicinal diols by linear infrared spectroscopy.
2009 May 28
Complete genome sequence of Ilyobacter polytropus type strain (CuHbu1).
2010 Dec 15
Effect of polyol on the structure of nonionic surfactant reverse micelles in glycerol monoisostearate/decane systems.
2010 Mar 2
Gas analysis by monitoring molecular diffusion in a microfluidic channel.
2010 Oct 1
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:01:23 UTC 2023
Edited
by admin
on Sat Dec 16 20:01:23 UTC 2023
Record UNII
RUN0H01QEU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-BUTANEDIOL
HSDB   INCI  
INCI  
Official Name English
1,2-BUTANEDIOL [INCI]
Common Name English
DL-1,2-BUTANEDIOL
Common Name English
1,2-BUTANEDIOL [HSDB]
Common Name English
1,2-DIHYDROXYBUTANE
Systematic Name English
(±)-BUTANE-1,2-DIOL
Systematic Name English
NSC-24242
Code English
1,2-BUTYLENE GLYCOL
Systematic Name English
BUTANEDIOL, 1,2-
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 642201
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
Code System Code Type Description
DAILYMED
RUN0H01QEU
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
NSC
24242
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
CHEBI
52682
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
FDA UNII
RUN0H01QEU
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
CAS
584-03-2
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
PUBCHEM
11429
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
HSDB
1507
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-527-2
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID6040375
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
WIKIPEDIA
1,2-BUTANEDIOL
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY
RXCUI
1307758
Created by admin on Sat Dec 16 20:01:23 UTC 2023 , Edited by admin on Sat Dec 16 20:01:23 UTC 2023
PRIMARY RxNorm