Compound: 1-Hexanol
SMILES: OCCCCCC
InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Synonyms: 1-Hexanol, Hexyl alcohol, Hexan-1-ol, 111-27-3, n-Hexanol, n-Hexyl alcohol, Amylcarbinol, 1-Hydroxyhexane, Caproyl alcohol, 1-Hexyl alcohol, Pentylcarbinol, n-Hexan-1-ol, Caproic alcohol, C6 alcohol, Alcohol(C6), EPAL 6, FEMA No. 2567, FEMA Number 2567, 6CP2QER8GS, DTXSID8021931, NSC-9254, DTXCID201931, CHEBI:87393, RefChem:75916, 203-852-3, HEXANOL, Hexanol (VAN), Hexyl alcohol (natural), MFCD00002982, NSC 9254, 25917-35-5, Hexanol-(1), 1-Hexanol-13C6, Alcohol C-6, Caswell No. 482E, Hydroxyhexane, Hexanols, BHL, CAS-111-27-3, HE2, HSDB 565, EINECS 203-852-3, UNII-6CP2QER8GS, EPA Pesticide Chemical Code 079047, BRN 0969167, Caproalcohol, Hexalcohol, HEXYL ALCOHOL, ACTIVE, n-hexylalcohol, AI3-08157, N-hexenol, Exxal 6, EINECS 247-346-0, HEXANOL-CMPD, 1-Hexanol (Standard), Exxal 6 (Salt/Mix), BDBM9, 1-Hexanol, 98%, Hexyl alcohol, FCC, FG, 1-HEXANOL [HSDB], 1-HEXANOL [MI], EC 203-852-3, n-C6H13OH, SCHEMBL1876, SCHEMBL1877, HEXYL ALCOHOL [FCC], SCHEMBL93235, SCHEMBL93316, C6H13OH, HEXYL ALCOHOL [FHFI], WLN: Q6, 4-01-00-01694 (Beilstein Handbook Reference), MLS001055374, UN 2282 (Salt/Mix), BIDD:ER0298, CHEMBL14085, SCHEMBL148564, SCHEMBL252412, SCHEMBL268880, SCHEMBL302493, SCHEMBL577819, SCHEMBL812237, 1-Hexanol, analytical standard, orb1296950, SCHEMBL2004174, SCHEMBL3458040, SCHEMBL5427300, SCHEMBL5839946, SCHEMBL8540349, SCHEMBL9021267, SCHEMBL9021795, SCHEMBL9628901, SCHEMBL9702425, SCHEMBL11166406, SCHEMBL11451273, SCHEMBL14486207, 1-Hexanol, anhydrous, >=99%, NSC9254, 1-Hexanol, reagent grade, 98%, HMS3039L08, HY-W032022R, Tox21_201335, Tox21_302953, LMFA05000117, SBB059899, STL282713, AKOS009031422, EBC-605410, HY-W032022, 1-Hexanol, purum, >=98.0% (GC), MSK014042-1000M, NCGC00090949-01, NCGC00090949-02, NCGC00256385-01, NCGC00258887-01, DA-49160, Hexanols [UN2282]  [Flammable liquid], LS-13216, PD158361, SMR000677945, 1-Hexanol, SAJ special grade, >=99.0%, 1-Hexanol, Vetec(TM) reagent grade, 98%, CS-0076046, H0130, Hexyl alcohol, natural, >=98%, FCC, FG, n-Hexanol Solution in Methanol, 1000ug/mL, NS00009706, ST51046167, EN300-19338, Q76933, 1-Hexanol, ReagentPlus(R), >=99.5% (GC), F349294, F0001-0237, Z104473568, InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H
Theoretical properties:
molecular_formula: C6H14O
molecular_weight: 102.17 g/mol
exact_mass: 102.104465066 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 4
heavy_atom_count: 7
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; sweet alcohol; pleasant
boiling_point: 314.8 °F at 760 mmHg (USCG, 1999)
melting_point: -48.3 °F (USCG, 1999)
density: 0.85 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Sol in ethanol, acetone, chloroform; miscible with ether, benzene; slightly soluble in carbon tetrachloride
flash_point: 145 °F (USCG, 1999)
vapor_pressure: 38.78 mmHg (USCG, 1999)
Descriptions:
pubchem: Hexan-1-ol is a primary alcohol that is hexane substituted by a hydroxy group at position 1. It has a role as an antibacterial agent, a fragrance, an alarm pheromone and a plant metabolite. It is a hexanol and a primary alcohol.
chebi: A primary alcohol that is hexane substituted by a hydroxy group at position 1.
chembl: 1-HEXANOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1-Hexanol (IUPAC name hexan-1-ol) is an organic alcohol with a six-carbon chain and a condensed structural formula of CH3(CH2)5OH.  This colorless liquid is slightly soluble in water, but miscible with diethyl ether and ethanol.  Two additional straight chain isomers of 1-hexanol, 2-hexanol and 3-hexanol, exist, both of which differing by the location of the hydroxyl group.  Many isomeric alcohols have the formula C6H13OH. It is used in the perfume industry.