Compound: ACROLEIN
SMILES: O=CC=C
InChIKey: HGINCPLSRVDWNT-UHFFFAOYSA-N
Synonyms: ACROLEIN, Acrylaldehyde, 2-Propenal, 107-02-8, prop-2-enal, Propenal, Acrylic aldehyde, Aqualin, Allyl aldehyde, Magnacide H, Acraldehyde, Ethylene aldehyde, Aqualine, 2-Propen-1-one, Slimicide, Crolean, Prop-2-en-1-al, Magnacide, Acrylaldehyd, Acroleina, Acroleine, Akrolein, Akroleina, Biocide, Papite, Aldeide acrilica, Aldehyde acrylique, Acraldehydeacroleina, trans-Acrolein, Magnacide B, NSC 8819, Rcra waste number P003, Caswell No. 009, Aldehyde, Allyl, Aldehyde, Acrylic, Aldehyde, Ethylene, DTXSID5020023, UN 1092, NSC-8819, EPA Pesticide Chemical Code 000701, 7864XYD3JJ, CHEBI:15368, AI3-24160, DTXCID8023, 2 Propenal, RefChem:5513, 203-453-4, Propenaldehyde, Magnacide H and B, 2-Propenaldehyde, Acrolein (stabilized with hydroquinone), CH2=CHCHO, CHEMBL721, Akrolein [Czech], Propenal [Czech], Acrolein, analytical standard, Akroleina [Polish], Acroleina [Italian], Acrylaldehyd [German], Allylaldehyde, Acrolein Monomer, Acroleine [Dutch, French], Aldeide acrilica [Italian], Aldehyde acrylique [French], Acrolein, inhibited, Propenal, inhibited, Acraldehydeacroleina [Italian], CCRIS 3278, HSDB 177, EINECS 203-453-4, UN1092, RCRA waste no. P003, Acrylic aldehyde, inhibited, UNII-7864XYD3JJ, Aerolein, prop-2-en-1-one, ACROLEIN [HSDB], ACROLEIN [IARC], ACROLEIN [MI], ACROLEIN [MART.], Epitope ID:143621, EC 203-453-4, SCHEMBL2571, WLN: VH1U1, Acroleine(DUTCH, FRENCH), SCHEMBL26616, trans-Acrolein Formylethylene, SCHEMBL459126, SCHEMBL713211, GTPL2418, SCHEMBL2112584, SCHEMBL6294448, SCHEMBL8067252, SCHEMBL11572300, NSC8819, Acrolein 5000 microg/mL in Water, STR00291, Acrolein 100 microg/mL in Acetone, Tox21_200984, BDBM50010912, MFCD00006998, MSK001672, Acrolein 1000 microg/mL in Methanol, Acrolein 5000 microg/mL in Methanol, AKOS000120766, Acrolein, 96%, stab with hydroquinone, MSK001672-1000A, NCGC00091484-01, NCGC00091484-02, NCGC00258537-01, BP-14004, CAS-107-02-8, Acrolein, inhibited [UN1092]  [Poison], DB-026460, A0137, NS00009782, Acrolein Solution in Acetonitrile, 1000ug/mL, C01471, InChI=1/C3H4O/c1-2-3-4/h2-3H,1H, Q342790, Acrolein, contains hydroquinone as stabilizer, 90%, Acrolein Solution, 5000 microg/mL in Methanol, Second Source, Acrolein, stabilized with 3 wt% water, 1000ppm hydroquinone, stored over Copper
Theoretical properties:
molecular_formula: C3H4O
molecular_weight: 56.06 g/mol
exact_mass: 56.026214747 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 4
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless or yellowish liquid
color: Colorless or yellowish liquid
odor: Extremely sharp; extremely acrid, pungent, burnt sweet; hot fat
boiling_point: 126 °F at 760 mmHg (EPA, 1998)
melting_point: -126 °F (EPA, 1998)
density: 0.8389 to 0.8621 at 32 to 68 °F (EPA, 1998)
solubility: greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
flash_point: -15 °F (EPA, 1998)
vapor_pressure: 135.71 to 210 mmHg at 50 to 68 °F (EPA, 1998)
Descriptions:
pubchem: Acrolein is an enal that is prop-2-ene with an oxo group at position 1. It has a role as a herbicide, a toxin and a human xenobiotic metabolite.
chebi: An enal that is prop-2-ene with an oxo group at position 1.
chembl: ACROLEIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Acrolein (systematic name: propenal) is the simplest unsaturated aldehyde. It is a colorless liquid with a foul and acrid aroma. The smell of burnt fat (as when cooking oil is heated to its smoke point) is caused by glycerol in the burning fat breaking down into acrolein. It is produced industrially from propene and mainly used as a biocide and a building block to other chemical compounds, such as the amino acid methionine.