Compound: butyraldehyde
SMILES: O=CCCC
InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
Synonyms: butyraldehyde, butanal, 123-72-8, n-butyraldehyde, Butyral, 1-butanal, Butyric aldehyde, Butaldehyde, Butanaldehyde, Butal, n-Butanal, Butylaldehyde, Butalyde, Butyraldehyd, Aldeide butirrica, Aldehyde butyrique, Butyrylaldehyde, n-Butyl aldehyde, butan-1-al, NCI-C56291, FEMA Number 2219, DTXSID8021513, NSC-62779, DTXCID601513, FEMA NO. 2219, H21352682A, CHEBI:15743, RefChem:31171, 204-646-6, Butyl aldehyde, MFCD00007023, NSC 62779, n-C3H7CHO, BUTANAL   N-BUTYRALDEHYDE, 27789-14-6, Butyraldehyd [German], 1-butanone, Aldehyde butyrique [French], Aldeide butirrica [Italian], CCRIS 3221, Butyraldehyde (crude), HSDB 2798, EINECS 204-646-6, UN1129, BRN 0506061, butyr-aldehyde, n-Butylaldehyde, AI3-24198, n -butyraldehyde, n- butanal, UNII-H21352682A, Butyraldehyde(CZECH, Butyraldehyde, 99%, SCHEMBL807, BUTYRALDEHYDE [MI], bmse000972, BUTYRALDEHYDE [FCC], EC 204-646-6, Butyraldehyde, natural, FG, SCHEMBL2069, WLN: VH3, BUTYRALDEHYDE [FHFI], BUTYRALDEHYDE [HSDB], Butyraldehyde, >=96.0%, 4-01-00-03229 (Beilstein Handbook Reference), SCHEMBL247362, SCHEMBL284445, SCHEMBL343501, SCHEMBL605377, SCHEMBL732888, BUTYRALDEHYDE [USP-RS], SCHEMBL1408988, SCHEMBL7085373, SCHEMBL7323870, SCHEMBL7330459, SCHEMBL8116527, SCHEMBL9036873, CHEMBL1478334, SCHEMBL11426101, SCHEMBL28130291, Butyraldehyde, >=99.0%, dry, NSC62779, Tox21_202491, MSK157437, STL281871, AKOS000120429, EBC-627086, UN 1129, NCGC00091658-01, NCGC00260040-01, CAS-123-72-8, FB168676, B0751, NS00007479, Butyraldehyde [UN1129]  [Flammable liquid], EN300-18029, C01412, F094987, Q410603, Butyraldehyde, purified by redistillation, >=99.5%, F2190-0595, InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H, Butyraldehyde, United States Pharmacopeia (USP) Reference Standard, Butyraldehyde, analytical standard, contains ~0.1% 2,6-di-tert-butyl-4-methylphenol and ~1% water as stabilizer
Theoretical properties:
molecular_formula: C4H8O
molecular_weight: 72.11 g/mol
exact_mass: 72.057514874 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 5
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Characteristic, pungent, aldehyde odor
boiling_point: 167 °F at 760 mmHg (NTP, 1992)
melting_point: -146 °F (NTP, 1992)
density: 0.803 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 20 °F (NTP, 1992)
vapor_pressure: 91.5 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Butanal is a member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals. It has a role as a biomarker, a mouse metabolite and an Escherichia coli metabolite.
chebi: A member of the class of  butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals.
chembl: BUTANAL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Butyraldehyde, also known as butanal, is an organic compound with the formula CH3(CH2)2CHO. This compound is the aldehyde derivative of butane. It is a colorless flammable liquid with an unpleasant smell. It is miscible with most organic solvents.