Compound: ISOBUTYRALDEHYDE
SMILES: O=CC(C)C
InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
Synonyms: ISOBUTYRALDEHYDE, 2-Methylpropanal, 78-84-2, Isobutanal, Isobutylaldehyde, 2-Methylpropionaldehyde, Propanal, 2-methyl-, Isobutyric aldehyde, Methylpropanal, Valine aldehyde, 2-Methyl-1-propanal, Isopropylaldehyde, Isopropylformaldehyde, Isobutaldehyde, Isobutyraldehyd, Isobutyral, Methyl propanal, Isobutyryl aldehyde, Isopropyl aldehyde, alpha-Methylpropionaldehyde, Isopropyl formaldehyde, isobutyl aldehyde, Propionaldehyde, 2-methyl-, ISO-BUTYRALDEHYDE, FEMA No. 2220, NCI-C60968, DTXSID9021635, NSC-6739, C42E28168L, ISOPROPYLCARBOXALDEHYDE, DTXCID201635, CHEBI:48943, RefChem:5914, 201-149-6, MFCD00006980, NSC 6739, .alpha.-Methylpropionaldehyde, iso-C3H7CHO, 2-methyl-propionaldehyde, 2-METHYL-PROPANAL, Isobutyraldehyde, 98%, Isobutyraldehyd [Czech], Isobutyraldehyde (natural), isobutyl aldehy de, Butyric iso aldehyde, CCRIS 1101, HSDB 614, EINECS 201-149-6, UN2045, isobutyraldehye, i-butyraldehyde, iso-butanal, i-butanal, 2-methypropanal, AI3-15311, UNII-C42E28168L, so-Butyl aldehyde, iso-butyl aldehyde, 2-methyl-propan-1-one, Isobutyraldehyde, >=99%, alpha -methylpropionaldehyde, EC 201-149-6, SCHEMBL2995, SCHEMBL2996, Isobutyraldehyde, redistilled, SCHEMBL44678, ISOBUTYRALDEHYDE [MI], Isobutyraldehyde, dry, 98%, 2-methylpropanal (isobutanal), ISOBUTYRALDEHYDE [FCC], SCHEMBL343500, SCHEMBL731966, WLN: VHY1&1, ISOBUTYRALDEHYDE [FHFI], ISOBUTYRALDEHYDE [HSDB], SCHEMBL1388169, SCHEMBL6556809, CHEMBL1404017, Isobutyraldehyde, >=98%, FG, SCHEMBL10774212, SCHEMBL27701136, SCHEMBL27701139, SCHEMBL28235740, FEMA 2220, Isobutyraldehyde 2-Methylpropanal, ISOBUTYRALDEHYDE [USP-RS], Isobutyraldehyde, >=98%, FCC, NSC6739, AAA07884, Isobutyraldehyde or isobutyl aldehyde, Isobutyraldehyde, analytical standard, Tox21_200024, BBL034648, MSK161233, STL264210, Isobutyraldehyde, natural, 96%, FG, AKOS000119887, EBC-627145, UN 2045, CAS-78-84-2, MSK161233-1000Y, NCGC00091788-01, NCGC00091788-02, NCGC00257578-01, BP-20619, Isobutyraldehyde, redistilled, >=99.5%, I0101, NS00004602, EN300-19563, C22919, 2-Methylpropanal Solution in Ethanol, 1000ug/mL, F094969, Q418164, InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H, F2190-0633, Isobutyraldehyde or isobutyl aldehyde [UN2045]  [Flammable liquid]
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: 1
heavy_atom_count: 5
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Transparent, colorless liquid
color: Transparent, colorless liquid
odor: EXTREMELY SHARP
boiling_point: 147 °F at 760 mmHg (NTP, 1992)
melting_point: -85 °F (NTP, 1992)
density: 0.791 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: -40 °F (NTP, 1992)
vapor_pressure: 170 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Isobutyraldehyde is a member of the class of propanals that is propanal substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a member of propanals and a 2-methyl-branched fatty aldehyde.
chebi: A member of the class of propanals that is propanal substituted by a methyl group at position 2.
chembl: ISOBUTYRALDEHYDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isobutyraldehyde is the chemical compound with the formula (CH3)2CHCHO. It is an aldehyde, isomeric with n-butyraldehyde (butanal). Isobutyraldehyde is made, often as a side-product, by the hydroformylation of propene. Its odour is described as that of wet cereal or straw. It undergoes the Cannizzaro reaction even though it has alpha hydrogen atom. It is a colorless volatile liquid.