Compound: 1-butanol
SMILES: OCCCC
InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
Synonyms: 1-butanol, Butan-1-ol, n-butanol, 71-36-3, Butyl alcohol, n-butyl alcohol, Propylcarbinol, 1-hydroxybutane, Butyl hydroxide, Methylolpropane, Propylmethanol, Butyric alcohol, Hemostyp, n-Butan-1-ol, 1-Butyl alcohol, Butanolen, Butanolo, Propyl carbinol, Alcool butylique, Butylowy alkohol, Normal primary butyl alcohol, FEMA No. 2178, RCRA waste number U031, CCS 203, Alcohol, Butyl, FEMA Number 2178, 1 Butanol, Butyric or normal primary butyl alcohol, DTXSID1021740, NSC-62782, 8PJ61P6TS3, DTXCID701740, CHEBI:28885, n-Propyl carbinol, n Butanol, n Butyl Alcohol, Alcohol, n-Butyl, RefChem:6600, 200-751-6, butanol, BuOH, 35296-72-1, n-BuOH, n-Butylalkohol, butanol-1, MFCD00002964, NSC 62782, Butyl alcohol (NF), Butyl alcohol [NF], CHEMBL14245, 1-BUTANOL-3,3,4,4,4-D5, 64118-16-7, NCGC00090961-02, Butanols, Butanol [French], Butanolen [Dutch], 1-butanol (n-butyl alcohol), Butanolo [Italian], normal butanol, Butyl alcohol (natural), VANADIUM TETRABUTOXIDE, n-Butanol, Butan-1-ol, 1-Butanol, 6167-45-9, Alcool butylique [French], Butylowy alkohol [Polish], 1-Butanol, ACS reagent, >=99.4%, CAS-71-36-3, 1BO, HSDB 48, Butanol, 1-, CCRIS 4321, EINECS 200-751-6, RCRA waste no. U031, UNII-WB09NY83YA, butaneol, butylalcohol, UNII-8PJ61P6TS3, butan-1-olate,vanadium(4+), butyl-alcohol, n-butylalcohol, 1-butylalcohol, AI3-00405, Normal butanol,, n-Butanolbutanolen, nBuOH, N-Butanol(nba), 1 -butanol, 1- butanol, 1-Butanol, ACS, 99.4+%, 1-n-Butanol, 1-Butanol, anhydrous, ALCOHOL,BUTYL, n-Butyl--d6 Alcohol, 1-Butanol, for HPLC, n-Butanol, HPLC grade, 1-Butanol, 99%, 1-Butanol, HPLC Grade, n-Butanol; Butyl alcohol, n-C4H9OH, SCHEMBL532, bmse000447, 1-Butanol, 99.9%, EC 200-751-6, BUTYL ALCOHOL [II], SCHEMBL2713, SCHEMBL3917, SCHEMBL5199, SCHEMBL5571, BUTYL ALCOHOL [FCC], WB09NY83YA, SCHEMBL38365, SCHEMBL39343, BUTYL ALCOHOL [FHFI], BUTYL ALCOHOL [HSDB], WLN: Q4, 1-BUTANOL [USP-RS], ALCOHOL,BUTYL [VANDF], BIDD:ER0611, N-BUTYL ALCOHOL [MI], SCHEMBL183428, SCHEMBL483706, SCHEMBL652826, 1-Butanol, analytical standard, BUTYL ALCOHOL [MART.], SCHEMBL1355556, SCHEMBL1355557, SCHEMBL1931156, SCHEMBL2123900, SCHEMBL2125874, SCHEMBL5584926, SCHEMBL5598443, SCHEMBL5932060, SCHEMBL7784082, 1-Butanol [for HPLC Solvent], 1-Butanol, LR, >=99%, SCHEMBL27530758, SCHEMBL27562858, BDBM36173, 1-Butanol, anhydrous, 99.8%, MSK6708, N-Butanol, ACS, 99.4+%, N-BUTYL ALCOHOL [WHO-DD], 1-Butanol [for Spectrophotometry], 1-Butanol, AR, >=99.5%, 1-Butanol, for HPLC, 99.8%, Butyl alcohol, >=99.9%, FCC, HBA58614, HY-Y0340, NSC62782, Tox21_111046, Tox21_200741, EBC-47548, LMFA05000109, STL264186, AKOS000249218, 1-Butanol 500 microg/mL in Methanol, 1-Butanol, for HPLC, >=99.7%, DB02145, Butyl alcohol, >=99.9%, FCC, FG, NCGC00090961-01, NCGC00090961-03, NCGC00258295-01, BP-30034, 1-Butanol, SAJ first grade, >=99.0%, 1-Butanol, for molecular biology, >=99%, 1-Butanol, JIS special grade, >=99.0%, 1-Butanol, p.a., ACS reagent, 99.4%, 1-Butanol, for HPLC, >=99.8% (GC), 1-Butanol, spectrophotometric grade, 99.5%, 1-Butanol, UV HPLC spectroscopic, 99.5%, B0228, B0704, B0944, NS00009227, 1-Butanol, anhydrous, ZerO2(TM), 99.8%, EN300-19305, 1-Butanol, Ultrapure, Spectrophotometric Grade, Butyl alcohol, natural, >=99.5%, FCC, FG, C06142, D03200, Q16391, F075156, TRIBUTYL ACETYLCITRATE IMPURITY D [EP IMPURITY], F0001-1830, InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H, 1-Butanol, puriss. p.a., ACS reagent, >=99.5% (GC), BDBC6468-886D-4F6C-8746-734F2B63E6CE, 1-Butanol, ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%, 1-Butanol, United States Pharmacopeia (USP) Reference Standard, 1-Butanol, Pharmaceutical Secondary Standard; Certified Reference Material, 1-Butanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC), 1-Butanol; Tri-N-Butyl Phosphate EP Impurity C; Tributyl Acetylcitrate EP Impurity D
Theoretical properties:
molecular_formula: C4H10O
molecular_weight: 74.12 g/mol
exact_mass: 74.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 5
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: HARSH FUSEL ODOR WITH BANANA
boiling_point: 243.9 °F at 760 mmHg (USCG, 1999)
melting_point: -129 °F (USCG, 1999)
density: 0.81 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 9 % (NIOSH, 2024)
flash_point: 84 °F (USCG, 1999)
vapor_pressure: 15.51 mmHg (USCG, 1999)
Descriptions:
pubchem: Butan-1-ol is a primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. It has a role as a protic solvent, a mouse metabolite and a human metabolite. It is a primary alcohol, a short-chain primary fatty alcohol and an alkyl alcohol.
chebi: A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.
chembl: BUTYL ALCOHOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: 1-Butanol, also known as butan-1-ol or n-butanol, is a primary alcohol with the chemical formula C4H9OH and a linear structure. Isomers of 1-butanol are isobutanol, butan-2-ol and tert-butanol. The unmodified term butanol usually refers to the straight chain isomer.
1-Butanol occurs naturally as a minor product of the ethanol fermentation of sugars and other saccharides and is present in many foods and drinks. It is also a permitted artificial flavorant in the United States, used in butter, cream, fruit, rum, whiskey, ice cream and ices, candy, baked goods, and cordials. It is also used in a wide range of consumer products.
The largest use of 1-butanol is as an industrial intermediate, particularly for the manufacture of butyl acetate (itself an artificial flavorant and industrial solvent). It is a petrochemical derived from propylene. Estimated production figures for 1997 are: United States 784,000 tonnes; Western Europe 575,000 tonnes; Japan 225,000 tonnes.