PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : 1,3-Butadiene
PCNDIDOT0338
Pubchem CID : 7845
Molecular formula: C4H6

Molecular weight : 54.090

Canonical SMILES : C=CC=C

Synonymes : 1,3-BUTADIENE|Buta-1,3-diene|106-99-0|BUTADIENE|Divinyl|Vinylethylene|Biethylene|Erythrene|Bivinyl|Pyrrolylene|Butadieen|Butadien|Buta-1,3-dien|Buta-1,3-dieen|alpha,gamma-Butadiene|Butadiene monomer|9003-17-2|NCI-C50602|1,3-butadien|Butadiene-1,3-uninhibited|Buta-1,3-dien [German]|CCRIS 99|Butadiene, 1,3-|HSDB 181|vinyl ethylene|JSD5FGP5VD|.alpha.,.gamma.-Butadiene|EINECS 203-450-8|1,3 butadiene|Butadieen [Dutch]|Butadien [Polish]|alpha-gamma-butadiene|CHEBI:39478|UNII-JSD5FGP5VD|CH2=CHCH=CH2|Buta-1,3-dieen [Dutch]|CH2=CH-CH=CH2|UN 1010|1,3-Butadiene, homopolymer|1,3-Butadiene (ca. 15% in Toluene)|DTXSID3020203|1,3-BUTADIENE-2,3-D2|130983-70-9|25339-57-5|1,3-Butadiene (ca. 15% in Hexane)|EC 203-450-8|1983-06-8|1,3-BUTADIENE (IARC)|1,3-BUTADIENE [IARC]|MFCD00008659|1,3-butadiene-1,1,4,4-d4|26952-74-9|68514-37-4|1,3-Butadiene, puriss., >=99.5% (GC)|butadiene-1,3|alpha, gamma-butadiene|BUTADIENE [INCI]|1,3-Butadiene 95%|2-Butene-1,4-diylradical|alpha,<>-Butadiene|CH22CH1CH2CH2|BUTADIENES, STABILIZED|DTXCID10203|1,3-Butadiene, >=99%|1,3-BUTADIENE [MI]|1,3-butadiene, various grades|CHEMBL537970|1,3-BUTADIENE [HSDB]|CHEBI:39479|(C4-H6)x-|1,3-Butadiene, >=99.6%|[(E)-2-Butene-1,4-diyl]radical|BUTADIENE-1, 3, STABILIZED|EINECS 271-039-0|LS-417|UN1010|1,3-BUTADIENE, (STABILIZED)|1,3-Butadiene, purum, >=98.0%|AKOS007930655|B0675|B4358|B4359|B4835|FT-0606587|J3.623.750C|Q161503|1,3-Butadiene (~15per cent by weight in Toluene)|1,3-Butadiene 10 microg/mL in N,N-Dimethylacetamide|1,3-Butadiene 50 microg/mL in N,N-Dimethylacetamide|1,3-Butadiene 150 microg/mL in N,N-Dimethylacetamide|1,3-Butadiene 250 microg/mL in N,N-Dimethylacetamide|1,3-Butadiene 400 microg/mL in N,N-Dimethylacetamide|1,3-Butadiene (ca. 13% in Tetrahydrofuran, ca. 2mol/L)|1,3-Butadiene 200 microg/mL in Methanol. Short expiry date due to chemical nature of component(s)|31567-90-5|68441-48-5

Structure
3D structure 2D structure
7845
Predicted properties (NCBI Pubchem)

Physicochemical Properties