1.0 2010-04-08 22:10:56 UTC 2025-11-19 00:36:37 UTC FDB013836 Chlorohydrin Isolated from Carthamus tinctorius (safflower). Chlorohydrin is found in fats and oils and herbs and spices. 3-Tridecene-5,7,9,11-tetrayn-1-ol, 2-chloro-, (E)- (9CI) C13H9ClO 216.663 216.034192617 (3E)-2-chlorotridec-3-en-5,7,9,11-tetrayn-1-ol (3E)-2-chlorotridec-3-en-5,7,9,11-tetrayn-1-ol 71866-99-4 CC#CC#CC#CC#C\C=C\C(Cl)CO InChI=1S/C13H9ClO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h10-11,13,15H,12H2,1H3/b11-10+ XENVCRGQTABGKY-ZHACJKMWSA-N belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups. Chlorohydrins Organic compounds Organohalogen compounds Halohydrins Chlorohydrins Aliphatic acyclic compounds Alkyl chlorides Hydrocarbon derivatives Organochlorides Primary alcohols Alcohol Aliphatic acyclic compound Alkyl chloride Alkyl halide Chlorohydrin Hydrocarbon derivative Organic oxygen compound Organochloride Organooxygen compound Primary alcohol logp 3.86 ALOGPS logs -4.38 ALOGPS solubility 9.01e-03 g/l ALOGPS melting_point Mp 111-112° dec. logp 3.22 ChemAxon pka_strongest_acidic 14.42 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (3E)-2-chlorotridec-3-en-5,7,9,11-tetrayn-1-ol ChemAxon average_mass 216.663 ChemAxon mono_mass 216.034192617 ChemAxon smiles CC#CC#CC#CC#C\C=C\C(Cl)CO ChemAxon formula C13H9ClO ChemAxon inchi InChI=1S/C13H9ClO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h10-11,13,15H,12H2,1H3/b11-10+ ChemAxon inchikey XENVCRGQTABGKY-ZHACJKMWSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 66.36 ChemAxon polarizability 24.79 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20152 Specdb::CMs 44242 Specdb::CMs 135012 Specdb::CMs 142746 Specdb::MsMs 106404 Specdb::MsMs 106405 Specdb::MsMs 106406 Specdb::MsMs 173151 Specdb::MsMs 173152 Specdb::MsMs 173153 Specdb::MsMs 2409802 Specdb::MsMs 2409803 Specdb::MsMs 2409804 Specdb::MsMs 2555347 Specdb::MsMs 2555348 Specdb::MsMs 2555349 HMDB35190 #<Reference:0x000055ce320b4360> Fats and oils Unknown generic Herbs and Spices Unknown generic