Compound: 1-Pentanol
SMILES: OCCCCC
InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
Synonyms: 1-Pentanol, Pentan-1-ol, Amyl alcohol, 71-41-0, N-Amyl alcohol, n-Pentanol, Pentyl alcohol, Butylcarbinol, Amylol, 1-Pentyl alcohol, Butyl carbinol, n-Butylcarbinol, n-Pentan-1-ol, N-PENTYL ALCOHOL, Pentanol-1, Pentasol, Alcool amylique, n-Amylalkohol, Primary amyl alcohol, Amyl alcohol, normal, Petan-1-ol, n-butyl carbinol, FEMA No. 2056, DTXSID6021741, 1-amyl alcohol, M9L931X26Y, NSC-5707, DTXCID101741, CHEBI:44884, RefChem:76882, 200-752-1, Pentanol, Amylalkohol, 30899-19-5, Pentanol (VAN), n-Amylalkohol [Czech], Amyl alcohol (natural), Alcool amylique [French], Pentylalkohol, pentyl-alcohol, amyl-alcohol, n-pentyl-alcohol, NSC 5707, UN1105, Amyl alcohol, n-, Primary-N-amyl alcohol, MFCD00002977, n-C5H11OH, Pentanols [UN1105] [Flammable liquid], N-amylalkohol (czech), Alcool amylique (french), n-Pentyl--d9 Alcohol, amylalcohol, FEMA Number 2056, HSDB 111, Pentan-1-ol; 1-Pentanol; Pentanol; n-Pentanol, EINECS 200-752-1, BRN 1730975, pentylalcohol, Pentalcohol, Pentanols, n-pentylalcohol, Valeric alcohol, 1-Pentan-1,1,2,2,3,3,4,4,5,5,5-d11-ol, l-pentanol, UNII-M9L931X26Y, AI3-01293, C5 alcohol, Amyl alcohol normal, Amyl alcohol,primary, 148587-12-6, 1-PENTANOL [MI], EC 200-752-1, AMYL ALCOHOL [FHFI], SCHEMBL10668, SCHEMBL25362, SCHEMBL30476, SCHEMBL33326, SCHEMBL43542, WLN: Q5, 4-01-00-01640 (Beilstein Handbook Reference), MLS002415674, CHEMBL14568, SCHEMBL152394, SCHEMBL183753, SCHEMBL269772, SCHEMBL491157, 1-PENTANOL [USP-RS], 1-AMYL ALCOHOL [FCC], Amyl alcohol, >=99%, FG, SCHEMBL2818314, SCHEMBL3511006, SCHEMBL9021255, SCHEMBL9022066, SCHEMBL9510394, 1-Pentanol, analytical standard, N-PENTYL ALCOHOL [HSDB], SCHEMBL15561476, BDBM22603, NSC5707, 1-Pentanol, p.a., 98.0%, HMS3039G16, HY-B1499, IGA77885, Tox21_201107, 1-Pentanol, ACS reagent, >=99%, LMFA05000112, MFCD01075169, MSK001509, STL282712, AKOS009031407, EBC-627114, MSK001509-100M, 1-Pentanol, ReagentPlus(R), >=99%, CAS-71-41-0, MSK001509-1000M, NCGC00091726-01, NCGC00091726-02, NCGC00258659-01, PE9, SMR001370872, 1-Pentanol, SAJ first grade, >=97.0%, 1-Pentanol Solution in Methanol, 100ug/mL, 1-Pentanol, SAJ special grade, >=99.0%, NS00002210, P0055, 1-Pentanol Solution in Methanol, 1000ug/mL, EN300-19332, Q151733, F0001-1831, 1-Pentanol, puriss. p.a., ACS reagent, >=99.0% (GC), InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H, 1-Pentanol, United States Pharmacopeia (USP) Reference Standard, 1-Pentanol, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C5H12O
molecular_weight: 88.15 g/mol
exact_mass: 88.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 3
heavy_atom_count: 6
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: CHARACTERISTIC FUSEL-LIKE ODOR
boiling_point: 280 °F at 760 mmHg (NTP, 1992)
melting_point: -110 °F (NTP, 1992)
density: 0.818 at 59 °F (USCG, 1999) - Less dense than water; will float
solubility: 10 to 50 mg/mL at 63 °F (NTP, 1992)
flash_point: 91 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 56.5 °F ; 2.8 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Pentan-1-ol is a short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. It has a role as a plant metabolite and a human metabolite. It is a pentanol and a short-chain primary fatty alcohol.
chebi: A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from <em>Melicope ptelefolia</em>.
chembl: 1-PENTANOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1-Pentanol, (or n-pentanol, pentan-1-ol), is an organic compound with the formula CH3CH2CH2CH2CH2OH and is classified as a primary alcohol. It is a colourless liquid with a distinctive aroma. It is one of 8 isomeric alcohols with the formula C5H11OH. It is used as a solvent, a biological drying agent and in the synthesis of some fragrance compounds. It is also a common component of fusel alcohols (fusel oils), the undesirable byproducts of alcoholic fermentation.