Compound: 1-UNDECANOL
SMILES: OCCCCCCCCCCC
InChIKey: KJIOQYGWTQBHNH-UHFFFAOYSA-N
Synonyms: 1-UNDECANOL, Undecan-1-ol, Undecyl alcohol, Undecanol, Hendecyl alcohol, 1-Hendecanol, Tip-Nip, 1-Undecyl alcohol, n-Undecan-1-ol, Alcohol C-11, Decyl carbinol, C11 alcohol, Neodol 1, Alcohol, undecyl, Undecanol-(1), Alcohol C11, NSC 403667, HSDB 1089, EINECS 203-970-5, UNII-06MJ0P28T3, BRN 1698334, DTXSID0026915, AI3-00330, NSC-403667, 1-UNDECANOL [HSDB], UNDECYL ALCOHOL [FCC], UNDECYL ALCOHOL [FHFI], DTXCID706915, CHEBI:87499, EC 203-970-5, 4-01-00-01835 (Beilstein Handbook Reference), nUndecanol, 1Hendecanol, nUndecan1ol, TipNip, nUndecyl alcohol, 1Undecyl alcohol, RefChem:77318, FEMA NUMBER 3097, UNDECYL ALCOHOL [INCI], DTXSID7027962, HSDB 5175, ALCOHOL C-11 (UNDECYLIC), EINECS 250-092-3, 112-42-530207-98-8, KJIOQYGWTQBHNH-UHFFFAOYSA-N, 112-42-5, n-Undecyl alcohol, n-Undecanol, Hendecanoic alcohol, n-Hendecylenic alcohol, FEMA No. 3097, MFCD00004751, 30207-98-8, 06MJ0P28T3, CAS-112-42-5, UMQ, UNA, HENDECANOL, Decane, hydroxymethyl deriv., Neoflex 11, Pri-n-undecyl alcohol, 1-Undecanol, 99%, Dlcohol c-11 undecylic, SCHEMBL20655, n-C11H23OH, Undecyl alcohol, 97%, FG, SCHEMBL105112, SCHEMBL182115, SCHEMBL778831, SCHEMBL996001, Alcohol C11; Undecyl alcohol, CHEMBL444525, orb1299784, SCHEMBL5498216, SCHEMBL10817464, SCHEMBL11354119, SCHEMBL26697578, SCHEMBL27955288, SCHEMBL27991539, AAA11242, Tox21_201585, Tox21_300548, LMFA05000144, MSK160828, NSC403667, s9450, SBB059909, STL280304, AKOS009031434, CS-W004292, EBC-152165, HY-W004292, MSK160828-100M, MSK160828-1000M, NCGC00164024-01, NCGC00164024-02, NCGC00164024-03, NCGC00254401-01, NCGC00259134-01, 1-Undecanol, purum, >=98.0% (GC), 143819-62-9, BP-31088, DA-59963, LS-14031, 1-Undecanol (Standard For Gc,>99.5%), NS00006811, ST51046176, U0005, 1-Undecanol Solution in Methanol, 100ug/mL, EN300-20041, 1-Undecanol Solution in Methanol, 1000ug/mL, F349306, Q161686, F8881-3903, Z104476546
Theoretical properties:
molecular_formula: C11H24O
molecular_weight: 172.31 g/mol
exact_mass: 172.182715385 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 9
heavy_atom_count: 12
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: Citrus
boiling_point: 473 °F at 760 mmHg (USCG, 1999)
melting_point: 60.6 °F (USCG, 1999)
density: 0.835 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Soluble in ethanol; very soluble in ether
flash_point: 200 °F (USCG, 1999)
vapor_pressure: 0.00297 [mmHg]
Descriptions:
pubchem: Undecan-1-ol is a primary alcohol that is undecane substituted by a hydroxy group at position 1. It has a role as a flavouring agent and a plant metabolite. It is a primary alcohol and an undecanol.
chebi: A primary alcohol that is undecane substituted by a hydroxy group at position 1.
chembl: UNDECANOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Undecanol, also known by its IUPAC name 1-undecanol or undecan-1-ol, and by its trivial names undecyl alcohol and hendecanol, is a fatty alcohol.  Undecanol is a colorless, water-insoluble liquid of melting point 19 °C and boiling point 243 °C.