Compound: acetaldehyde
SMILES: O=CC
InChIKey: IKHGUXGNUITLKF-UHFFFAOYSA-N
Synonyms: acetaldehyde, ethanal, 75-07-0, acetic aldehyde, ethyl aldehyde, Acetylaldehyde, Acetaldehyd, Aldeide acetica, Acetic ethanol, Octowy aldehyd, Aldehyde acetique, RCRA waste number U001, NSC 7594, NCI-C56326, FEMA No. 2003, DTXSID5039224, GO1N1ZPR3B, CHEBI:15343, NSC-7594, DTXCID202, NSC7594, Acetaldehyde Phenolic, Acetaldehyde 1501, RefChem:6606, 200-836-8, Ethylaldehyde, Acetaldehyde (natural), ACETYL GROUP, ethaldehyde, Azetaldehyd, CCRIS 1396, HSDB 230, MFCD00006991, UN1089, AI3-31167, CH3CHO, ethanone, C2H4O, Acetaldehyd [German], Octowy aldehyd [Polish], Aldeide acetica [Italian], Aldehyde acetique [French], EINECS 200-836-8, UNII-GO1N1ZPR3B, Acetic aldehyde; Ethanal; Ethyl aldehyde; NSC 7594, RCRA waste no. U001, Acetaldehyde, >=99%, meets FCC analytical specification, acetaldehydes, acetaldhyde, acetoaldehyde, Acetaldeyde, acetic hydride, ethan-1-one, 8 - Formaldehyde, MeCHO, ACETALD, CH2CHO, ACETALDEHYDE [MI], ACETALDEHYDE [FCC], bmse000647, Epitope ID:145667, ACETALDEHYDE [FHFI], ACETALDEHYDE [HPUS], ACETALDEHYDE [HSDB], ACETALDEHYDE [IARC], EC 200-836-8, SCHEMBL1561, SCHEMBL6747, WLN: VH1, SCHEMBL26005, SCHEMBL39657, ACETALDEHYDE [USP-RS], ACETALDEHYDE [WHO-DD], Acetaldehyde, >=99%, FG, BIDD:ER0621, SCHEMBL267564, Acetaldehyde, >=99%, FCC, CHEMBL170365, GTPL6277, SCHEMBL1594493, SCHEMBL2338299, SCHEMBL9925559, SCHEMBL10734809, SCHEMBL29901099, Acetaldehyde, analytical standard, CHEBI:16571, STR01382, Tox21_202479, Acetaldehyde, natural, >=99%, FG, Acetaldehyde, ReagentPlus(R), 99%, STL264249, Acetaldehyde solution 40 wt% in H2O, AKOS000120180, Acetaldehyde 1000 microg/mL in Water, EBC-627149, UN 1089, Acetaldehyde, ACS reagent, >=99.5%, CAS-75-07-0, Acetaldehyde, >=99%, FCC, stabilized, NCGC00091753-01, NCGC00260028-01, Acetaldehyde 1000 microg/mL in Methanol, InChI=1/C2H4O/c1-2-3/h2H,1H, MSK005046-10000A, Acetaldehyde, >=90.0%, SAJ first grade, A1640, Acetaldehyde [UN1089]  [Flammable liquid], NS00010070, EN300-19152, C00084, D78540, Q61457, Acetaldehyde, ReagentPlus(R), >=99.0% (GC), Acetaldehyde Solution in Acetonitrile, 10000ug/mL, BRD-K77914232-001-01-3, Q57695648, Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC), Acetaldehyde, United States Pharmacopeia (USP) Reference Standard, VINYL ALCOHOL (FROM ALCOHOLYSIS OR HYDROLYSIS OF VINYL ACETATE UNITS)
Theoretical properties:
molecular_formula: C2H4O
molecular_weight: 44.05 g/mol
exact_mass: 44.026214747 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Volatile liquid or gas
color: Volatile liquid or gas
odor: Pungent, fruity odor
boiling_point: 70 °F at 760 mmHg (NTP, 1992)
melting_point: -190.3 °F (NTP, 1992)
density: 0.78 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 0.1 to 1.0 mg/mL at 66 °F (NTP, 1992)
flash_point: -40 °F (NTP, 1992)
vapor_pressure: 400 mmHg at 40.8 °F ; 760 mmHg at 68.4 °F (NTP, 1992)
Descriptions:
pubchem: Acetaldehyde can cause cancer according to an independent committee of scientific and health experts.
chebi: The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.
chembl: ACETALDEHYDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Acetaldehyde (IUPAC systematic name ethanal) is an organic chemical compound with the formula CH3CH=O. It is a colorless liquid or gas, boiling near room temperature. It is one of the most important aldehydes, occurring widely in nature and being produced on a large scale in industry. Acetaldehyde occurs naturally in coffee, bread, and ripe fruit, and is produced by plants. It is also produced by the partial oxidation of ethanol by the liver enzyme alcohol dehydrogenase and is a contributing cause of hangover after alcohol consumption. Pathways of exposure include air, water, land, or groundwater, as well as drink and smoke. Consumption of disulfiram inhibits acetaldehyde dehydrogenase, the enzyme responsible for the metabolism of acetaldehyde, thereby causing it to build up in the body.
The International Agency for Research on Cancer (IARC) has listed acetaldehyde as a Group 1 carcinogen. Acetaldehyde is "one of the most frequently found air toxins with cancer risk greater than one in a million".