Results for:
chemical Classification: unsaturated hydrocarbonsalkenes

Compound Details

Synonymous names
1,2-BUTADIENE
buta-1,2-diene
590-19-2
Methylallene
1-Methylallene
Allene, methyl-
1,2-butadien
Buta-1,2-dien
CH2=C=CH-CH3
2AZI943A8R
HSDB 5705
UNII-2AZI943A8R
Methylajoene
EINECS 209-674-2
EC 209-674-2
CH2=C=CHCH3
1,2-BUTADIENE [HSDB]
DTXSID5027225
CHEBI:39480
1,2-Butadiene, >=97.0%
MFCD00039911
1,2-Butadiene, >=99.0% (GC)
B0856
NS00002160
InChI=1/C4H6/c1-3-4-2/h4H,1H2,2H
Q161451
Microorganism:

Yes

IUPAC name
SMILESCC=C=C
InchiInChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3
FormulaC4H6
PubChem ID11535
Molweight54.09
LogP1
Atoms4
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkadienes unsaturated hydrocarbonsalkenes
CHEBI-ID39480
Supernatural-IDSN0310363

mVOC Specific Details

Boiling Point
DegreeReference
10.9 °C peer reviewed
Volatilization
The Henry's Law constant for 1,2-butadiene is estimated as 0.097 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,2-butadiene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1 hour(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 70 hours(SRC). 1,2-Butadiene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,2-butadiene from dry soil surfaces may exist based upon a vapor pressure of 1,260 mm Hg(3).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,2-butadiene can be estimated to be 24(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,2-butadiene is expected to have very high mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno