Compound: butyric acid
SMILES: O=C(O)CCC
InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N
Synonyms: butyric acid, butanoic acid, 107-92-6, n-Butyric acid, n-Butanoic acid, propylformic acid, ethylacetic acid, 1-propanecarboxylic acid, Butanic acid, 1-Butyric acid, Buttersaeure, Kyselina maselna, FEMA No. 2221, Propanecarboxylic acid, 1-butanoic acid, FEMA Number 2221, Butyricum acidum, NORMAL BUTYRIC ACID, NSC-8415, 40UIR9Q29H, DTXSID8021515, NSC8415, DTXCID401515, CHEBI:30772, Acid, Butanoic, Tetranoic Acid, Acid, Butyric, Butyrate, Magnesium, fatty acid 4:0, Dibutyrate, Magnesium, RefChem:6399, CHEBI:140601, 203-532-3, Butyric acid (natural), Buttersaeure [German], Kyselina maselna [Czech], fattyacids, MFCD00002814, CCRIS 6552, HSDB 940, butoic acid, 2-butanoate, NSC 8415, BUTYRIC ACID (D8), UN2820, AI3-15306, C4:0, CH3-[CH2]2-COOH, Butyric acid [UN2820]  [Corrosive], BUA, acide butyrique, CAS-107-92-6, EINECS 203-532-3, BRN 0906770, UNII-40UIR9Q29H, sodium-butyrate, acide butanoique, Honey robber, ethyl acetic acid, 1ugp, 3umq, butanoic acid, 4, TNFa + NaBut, 715 - Chocolate, Butyrate, sodium salt, Butyric acid [UN2820] [Corrosive], BUTYRIC_ACID, n-C3H7COOH, TNFa + Sodium Butyrate, Butyric acid, >=99%, bmse000402, BUTYRIC ACID [MI], EC 203-532-3, NCIMech_000707, BUTYRIC ACID [FCC], SCHEMBL2503, WLN: QV3, BUTYRIC ACID [HSDB], SCHEMBL19276, SCHEMBL19277, SCHEMBL28291, SCHEMBL35619, BUTYRIC ACID [VANDF], 4-02-00-00779 (Beilstein Handbook Reference), Butyric acid (Butanoic acid), orb320463, CHEMBL14227, SCHEMBL342618, BUTYRIC ACID [WHO-DD], Butyric acid, >=99%, FG, N-BUTYRIC ACID [FHFI], GTPL1059, SCHEMBL1572589, SCHEMBL2408504, SCHEMBL5181660, SCHEMBL5686044, SCHEMBL6527663, SCHEMBL6545606, SCHEMBL7099423, SCHEMBL8527087, BUTYRICUM ACIDUM [HPUS], SCHEMBL21839372, BDBM26109, Butyric acid, analytical standard, Bio1_000444, Bio1_000933, Bio1_001422, STR06290, Tox21_202382, Tox21_300164, CCG-35836, EBC-46113, FA 4:0, LMFA01010004, STL169349, AKOS000118961, MSK1702-1000W, DB03568, UN 2820, NCGC00247914-01, NCGC00247914-02, NCGC00247914-05, NCGC00253919-01, NCGC00259931-01, BP-21420, FB159569, NCI60_001424, Butyric acid, natural, >=99%, FCC, FG, DB-318878, B0754, Butyric acid Solution in Water, 1000ug/mL, NS00001284, Butyric acid 1000 microg/mL in Acetonitrile, Butyric acid, SAJ special grade, >=99.5%, EN300-21334, C00246, Q193213, BRD-K05878375-236-02-4, BRD-K05878375-236-05-7, BRD-K05878375-236-06-5, 9B27B3D0-9643-40EC-9A5F-7CA1A6ED7F9F, F2191-0094, Z104495380, InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6
Theoretical properties:
molecular_formula: C4H8O2
molecular_weight: 88.11 g/mol
exact_mass: 88.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 6
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Oily liquid
color: Oily liquid
odor: Unpleasant, rancid odor
boiling_point: 326.3 °F at 760 mmHg (NTP, 1992)
melting_point: 17.8 °F (NTP, 1992)
density: 0.958 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
flash_point: 170 °F (NTP, 1992)
vapor_pressure: 0.43 mmHg at 68 °F ; 1.4 mmHg at 86 °F (NTP, 1992)
Descriptions:
pubchem: Butyric acid is a straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. It has a role as a Mycoplasma genitalium metabolite and a human urinary metabolite. It is a fatty acid 4:0 and a straight-chain saturated fatty acid. It is a conjugate acid of a butyrate.
chebi: A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.
chembl: BUTYRIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Butyric acid (; from Ancient Greek: βούτῡρον, meaning "butter"), also known under the systematic name butanoic acid, is a straight-chain alkyl fatty acid with the chemical formula CH3CH2CH2COOH. It is an oily, colorless liquid with an unpleasant odor. Isobutyric acid (2-methylpropanoic acid) is an isomer. Salts and esters of butyric acid are known as butyrates or butanoates. The acid does not occur widely in nature, but its esters are widespread. It is a common industrial chemical and an important component in the mammalian gut.