Results for:
PubChem ID: 262

Butane-2,3-diol

Mass-Spectra

Compound Details

Synonymous names
Dimethylethylene glycol
Pseudobutylene glycol
Sym-dimethylethylene glycol
OWBTYPJTUOEWEK-UHFFFAOYSA-N
Dimethylene glycol
AC1Q2BQD
AC1L18UG
2,3-Dihydroxybutane
ACMC-1BUD7
KSC270E6J
ACMC-209euy
2,3-butanodiol
2,3-butanediol
7110AF
HMDB03156
2,3-Butandiol
B0681
CTK1H0264
ACMC-209gb6
2,3-butylene glycol
2,3-dihydroxy butane
2,3-dihydroxy-butane
RL03891
DL-2,3-Butanediol
A18844
CCRIS 5501
HSDB 1505
D-2,3-BUTANEDIOL
CHEMBL2312529
Butane-2,3-diol
OR035318
OR332866
OR094911
DL-2,3-BUTANDIOL
DTXSID8041321
2,3- butanediol
NSC249246
2,3-butane diol
Butan-2,3-diol
CHEBI:62064
SC-81338
LS-45795
levo-butane-2,3-diol
KB-67232
SC-08971
SC-08972
DSSTox_GSID_41321
ANW-41590
AN-23501
MFCD00004523
DSSTox_CID_21321
DSSTox_RID_79687
2D-PHARMALYTE (9CI)
TR-032024
NSC-249246
D-2,3-Butane diol
RTR-032024
DB-027533
AKOS009031391
FT-0696715
BRN 0969165
I14-19052
Z966690926
2,3-Butanediol (DL)
PROPOXY, 2-HYDROXY-1-METHYL-
Tox21_300789
2,3-Butanediol, 98%
2,3-BUTANEDIOL, 96%
513-85-9
NCGC00248169-01
NCGC00254693-01
CAS-513-85-9
EINECS 208-173-6
2,3-Butanediol, analytical standard, mixture of racemic and meso forms
35007-63-7
98923-25-2
123513-85-9
MolPort-003-927-421
2,3-Butanediol, Vetec(TM) reagent grade, 98%
4-01-00-02524 (Beilstein Handbook Reference)
2,3-Butanediol, [R-(R*,R*)]-
2,3-Butanediol, purum, mixture of racemic and meso forms, >=98.0% (GC)
2,3-Butanediol, puriss., mixture of racemic and meso forms, >=99.0% (GC)
2,3-Butanediol, (R*,R*)-(.+/-.)-
InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H
Microorganism:

Yes

IUPAC namebutane-2,3-diol
SMILESCC(C(C)O)O
InchiInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
FormulaC4H10O2
PubChem ID262
Molweight90.122
LogP-0.38
Atoms16
Bonds15
H-bond Acceptor2
H-bond Donor2
Chemical ClassificationAlcohols

mVOC Specific Details

Boiling Point
DegreeReference
182 deg C at 1 atmRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 270
Volatilization
The Henry's Law constant for 2,3-butanediol is estimated as 2.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.24 mm Hg(1), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2,3-butanediol is expected to be essentially nonvolatile from water surfaces(3). 2,3-Butanediol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.24 mm Hg(1).
Literature: (1) NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry as of Mar 3, 2005. (2) Riddick JA et al; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. NY, NY: John Wiley and Sons p. 270 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of 2,3-butanediol is estimated as 7.5(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3-butanediol is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.243 mm Hg at 25 deg CNIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937aInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.Ryu et al., 2003
BacteriaBacillus Subtilis GB03Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.Ryu et al., 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacillus Subtilis 168triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aSplivallo et al., 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Fungi TuberSplivllo et al. 2007
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937an/an/a
BacteriaBacillus Subtilis GB03n/an/a
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacillus Subtilis 168Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBurkholderia Thailandensis LMG 20219AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaClostridium Sp.n/an/a
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaSerratia Proteamaculans B5aMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStenotrophomonas Rhizophilla Ep10-p69MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/an/a
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi Tuberno
BacteriaStreptomyces Spp.n/an/a