Compound: Valeric acid
SMILES: O=C(O)CCCC
InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Synonyms: Valeric acid, PENTANOIC ACID, 109-52-4, n-Valeric acid, n-Pentanoic acid, Valerianic acid, 1-Butanecarboxylic acid, Propylacetic acid, Butanecarboxylic acid, Kyselina valerova, n-Pentanoate, Valeric acid, normal, FEMA No. 3101, GZK92PJM7B, DTXSID7021655, NSC-406833, DTXCID801655, CHEBI:17418, RefChem:6342, 203-677-2, Pentanoate, pentoic acid, VALERIC ACID, N-, 1-pentanoic acid, Kyselina valerova [Czech], Valeriansaeure, n-Valerate, MFCD00004413, NSC 406833, Pentanoic acid-1-13C, n-C4H9COOH, CH3-[CH2]3-COOH, NCGC00183281-01, C5:0, CAS-109-52-4, SHF, HSDB 5390, Butane-1-carboxylic acid, EINECS 203-677-2, UNII-GZK92PJM7B, BRN 0969454, pentoate, Valerianate, Valeriansaure, valerinic acid, AI3-08657, Butanecarboxylate, 1-pentanoate, 1ylv, Pentanoic Acid; Valproic Acid Imp. A (EP); Valeric Acid; Valproic Acid Impurity A, 1-Butanecarboxylate, Valeric acid normal, n-BuCOOH, Valeric acid, 99%, Valeric acid, >=99%, bmse000345, EC 203-677-2, Pentanoic acid Valeric acid, SCHEMBL5886, VALERIC ACID [FCC], WLN: QV4, VALERIC ACID [FHFI], SCHEMBL20239, SCHEMBL20240, SCHEMBL49198, N-VALERIC ACID [MI], 4-02-00-00868 (Beilstein Handbook Reference), MLS001066335, orb322070, PENTANOIC ACID [HSDB], SCHEMBL183552, SCHEMBL277876, SCHEMBL285045, SCHEMBL294122, VALERIC ACID [MART.], Pentanoic Acid (Valeric Acid), CHEMBL268736, GTPL1061, SCHEMBL4276606, SCHEMBL6718562, Valeric acid ( Pentanoic acid ), Valeric acid, analytical standard, HMS2267A03, HY-N6056, Tox21_113414, Tox21_201561, Tox21_303030, FA 5:0, LMFA01010005, NSC406833, SBB053585, STL169350, Valeric acid, >=99%, FCC, FG, AKOS000118960, DB02406, FV34914, NCGC00183281-02, NCGC00183281-03, NCGC00256597-01, NCGC00259110-01, BS-42203, DA-76713, FA179604, SMR000471834, CS-0032261, NS00003555, ST51046708, V0003, EN300-19254, Valeric acid, pharmaceutical impurity standard, C00803, SBI-0653906.0001, VALPROIC ACID IMPURITY A [EP IMPURITY], F066625, Q407796, doi:10.14272/NQPDZGIKBAWPEJ-UHFFFAOYSA-N.1, F2191-0105, Valsartan Impurity 13 ( Valproic Acid EP Impurity A ), Z104473312, Sodium Valproate EP Impurity A; Valproic Acid EP Impurity A, InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(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: 3
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: UNPLEASANT ODOR, SIMILAR TO BUTYRIC ACID
boiling_point: 365 °F at 760 mmHg (NTP, 1992)
melting_point: -30.1 °F (NTP, 1992)
density: 0.939 (USCG, 1999) - Less dense than water; will float
solubility: 10 to 50 mg/mL at 72 °F (NTP, 1992)
flash_point: 192 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 108 °F ; 40 mmHg at 226.0 °F; 760 mmHg at 363.9 °F (NTP, 1992)
Descriptions:
pubchem: Valeric acid is a straight-chain saturated fatty acid containing five carbon atoms. It has a role as a plant metabolite. It is a short-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a valerate.
chebi: A straight-chain saturated fatty acid containing five carbon atoms.
chembl: VALERIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Valeric acid or  pentanoic acid is a straight-chain alkyl carboxylic acid with the chemical formula CH3(CH2)3COOH. Like other low-molecular-weight carboxylic acids, it has an unpleasant odor.  It is found in the perennial flowering plant Valeriana officinalis, from which it gets its name. Its primary use is in the synthesis of its esters. Salts and esters of valeric acid are known as valerates or pentanoates. Volatile esters of valeric acid tend to have pleasant odors and are used in perfumes and cosmetics. Several, including ethyl valerate and pentyl valerate are used as food additives because of their fruity flavors.