Compound: 1-octanol
SMILES: OCCCCCCCC
InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
Synonyms: 1-octanol, Octan-1-ol, N-octanol, 111-87-5, Octyl alcohol, caprylic alcohol, n-Octyl alcohol, Heptyl carbinol, 1-Hydroxyoctane, Octilin, Primary octyl alcohol, Alcohol C-8, n-Octan-1-ol, Alfol 8, Sipol L8, Lorol 20, n-Caprylic alcohol, Dytol M-83, EPAL 8, C8 alcohol, Octyl alcohol, normal-primary, Lorol C 8-98, Octyl alcohol, primary, FEMA No. 2800, FEMA Number 2800, DTXSID7021940, ALFOL 8 ALCOHOL, NSC-9823, NV1779205D, KALCOHL-0898, NACOL 8-99 ALCOHOL, DTXCID101940, CHEBI:16188, CO-898, n Octanol, n Octyl Alcohol, 1 Octanol, Alcohol, n-Octyl, RefChem:76769, 203-917-6, 606-925-1, octanol, n-Heptyl carbinol, octyl-alcohol, N-octyl-alcohol, 1-Octyl alcohol, n-Capryl alcohol, NSC 9823, 1-Oktanol, Alcohol C8, MFCD00002988, Prim-n-octyl alcohol, Emery 3322, Emery 3324, Caswell No. 611A, Octyl alcohol (natural), CAS-111-87-5, CCRIS 9099, HSDB 700, Octanol (all isomers), EINECS 203-917-6, EPA Pesticide Chemical Code 079037, octylalcohol, caprylyl alcohol, AI3-02169, UNII-NV1779205D, 1-n-octanol, 2-Capryl alcohol, Lorol C8, Octanol-(1), 1-Octanol (Standard), 2-Octanol ~99%, bmse000970, bmse000980, 1-OCTANOL [FHFI], 1-OCTANOL [HSDB], 1-OCTANOL [MI], EC 203-917-6, Octan-2-ol 98+ %, SCHEMBL8822, Octyl alcohol normal-primary, OCTYL ALCOHOL [FCC], SCHEMBL28406, SCHEMBL50289, SCHEMBL50290, WLN: Q8, MLS001055318, CHEMBL26215, SCHEMBL167574, SCHEMBL452563, 1-Octanol, analytical standard, GTPL4278, orb1710649, SCHEMBL1252965, SCHEMBL1664849, SCHEMBL7867106, SCHEMBL8679916, SCHEMBL9155344, SCHEMBL9255809, SCHEMBL9866662, SCHEMBL9951460, N-OCTYL ALCOHOL, PRIMARY, SCHEMBL10508261, SCHEMBL15990705, BDBM22606, 1-Octanol, anhydrous, >=99%, NSC9823, HMS3039O07, 1-Octanol, for HPLC, >=99%, AAA11187, HY-W032013R, 1-Octanol, ACS reagent, >=99%, 1-Octanol, ReagentPlus(R), 99%, Tox21_201373, Tox21_300096, c0045, EBC-48046, LMFA05000130, MSK014045, SBB059902, STL264193, 1-Octanol, >=98%, FCC, FG, 1-Octanol, natural, >=98%, FCC, AKOS000120100, DB12452, HY-W032013, MSK014045-100M, NCGC00091003-01, NCGC00091003-02, NCGC00091003-03, NCGC00091003-04, NCGC00091003-05, NCGC00254099-01, NCGC00258924-01, BP-21329, DA-59946, LS-13539, SMR000673567, 1-Octanol, puriss., >=99.5% (GC), 1-Octanol, SAJ first grade, >=75.0%, 1-Octanol, JIS special grade, >=98.0%, n-Octanol Solution in Methanol, 100ug/mL, CS-0076037, NS00010163, O0036, O0212, ST51046170, EN300-19311, C00756, T10024, 1-Octanol, ACS spectrophotometric grade, >=99%, F098917, Q161666, 1-Octanol [for Determining Partition Coefficients], BRD-K09338665-001-07-1, F0001-0248, Z104473500, 958E4752-AAC3-4F72-A0BF-02D95F9E8071, InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H, 220713-26-8
Theoretical properties:
molecular_formula: C8H18O
molecular_weight: 130.23 g/mol
exact_mass: 130.135765193 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 6
heavy_atom_count: 9
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: Fresh orange rose odor
boiling_point: 383 °F at 760 mmHg (USCG, 1999)
melting_point: 5 °F (USCG, 1999)
density: 0.829 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: In water, 540 mg/L at 25 °C
flash_point: 178 °F (USCG, 1999)
vapor_pressure: 0.07 [mmHg]
Descriptions:
pubchem: Octan-1-ol is an octanol carrying the hydroxy group at position 1. It has a role as an antifungal agent, a fuel additive, a plant metabolite, a bacterial metabolite and a kairomone. It is a primary alcohol and an octanol.
chebi: An octanol carrying the hydroxy group at position 1.
chembl: OCTANOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: 1-Octanol, also known as octan-1-ol, is the organic compound with the molecular formula C8H18O or CH3(CH2)7OH. It is a fatty alcohol. Many other isomers are also known generically as octanols.  1-Octanol is manufactured for the synthesis of esters for use in perfumes and flavorings. It has a pungent odor.  Esters of octanol, such as octyl acetate, occur as components of essential oils (grapefruit oil, orange oil, bergamot oil, mandarin oil and lime oil). It is used to evaluate the lipophilicity of  pharmaceutical products.