Compound: ISOVALERIC ACID
SMILES: O=C(O)CC(C)C
InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N
Synonyms: ISOVALERIC ACID, 3-Methylbutanoic acid, 503-74-2, Isopentanoic acid, 3-Methylbutyric acid, Isopropylacetic acid, Delphinic acid, Butanoic acid, 3-methyl-, Isovalerianic acid, Isobutylformic acid, beta-Methylbutyric acid, 3-methyl-butanoic acid, Acetic acid, isopropyl-, Butyric acid, 3-methyl-, Kyselina isovalerova, Isobutyl formic acid, FEMA No. 3102, 3-methyl-n-butyric acid, FEMA Number: 3102, DTXSID5029182, 1BR7X184L5, NSC-62783, DTXCID309182, CHEBI:28484, RefChem:5927, 207-975-3, 3-Methylbutyrate, Isovalerianic, 3-methyl butyric acid, MFCD00002726, 3-methyl-butyric acid, Isovaleriansaeure, .beta.-Methylbutyric acid, NSC 62783, 3-Methylbuttersaeure, 3,4-Diisovaleryl adrenaline, Butanoic acid, 3-methyl-, (R)-, Isovaleric acid (natural), Kyselina isovalerova [Czech], 92634-50-9, HSDB 629, EINECS 207-975-3, METHYLBUTANOIC ACID, BRN 1098522, UNII-1BR7X184L5, AI3-24132, b-Methylbutyrate, iso-valeric acid, 3-Methylbutanoicacid, b-Methylbutyric acid, DELPHINIC-ACID, iso-C4H9COOH, Isovaleric acid, 99%, bmse000373, EC 207-975-3, Isovaleric acid (Standard), SCHEMBL27107, SCHEMBL43436, SCHEMBL95347, SCHEMBL95767, ISOVALERIC ACID [MI], 4-02-00-00895 (Beilstein Handbook Reference), ISOVALERIC ACID [FCC], SCHEMBL126921, ISOVALERIC ACID [FHFI], ISOVALERIC ACID [HSDB], CHEMBL568737, orb1301651, SCHEMBL7904650, SCHEMBL8387832, WLN: QV1Y1&1, ISOVALERIC ACID [MART.], ISOVALERIC ACID [WHO-DD], MSK1786, HY-W012980R, NSC62783, STR08356, Isovaleric acid, analytical standard, Tox21_201604, BBL027399, EBC-04369, Isovaleric acid (mixture of isomers), LMFA01020181, s6287, STL146358, AKOS000119861, Isovaleric acid, >=99%, FCC, FG, CS-W013696, DB03750, FM15957, HY-W012980, 3-Methylbutyric acid: isopropyl-Acetate, Isovaleric acid sodium salt (Salt/Mix), Isovaleric acid, natural, >=98%, FG, NCGC00249082-01, NCGC00259153-01, 35915-22-1, CAS-503-74-2, SY001785, 3-Methylbutyric acid: isopropyl-Acetic acid, M0182, NS00001831, EN300-19718, C08262, D78213, F242835, Q415536, F2191-0067, Z104474910, InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7
Theoretical properties:
molecular_formula: C5H10O2
molecular_weight: 102.13 g/mol
exact_mass: 102.068079557 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: DISAGREEABLE, RANCID-CHEESE ODOR
density: 0.931 @ 20 °C/4 °C
flash_point: 70 °C
vapor_pressure: 0.44 [mmHg]
Descriptions:
pubchem: Isovaleric acid is a C5, branched-chain saturated fatty acid. It has a role as a mammalian metabolite and a plant metabolite. It is a short-chain fatty acid, a methylbutyric acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isovalerate.
chebi: A C<small><sub>5</sub></small>, branched-chain saturated fatty acid.
chembl: 3-METHYLBUTANOIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isovaleric acid, also known as 3-methylbutanoic acid or β-methylbutyric acid, is a branched-chain alkyl carboxylic acid with the chemical formula (CH3)2CHCH2CO2H.  It is classified as a short-chain fatty acid. Like other low-molecular-weight carboxylic acids, it has an unpleasant odor.  The compound occurs naturally and can be found in many foods, such as cheese, soy milk, and apple juice.