1.0 2010-04-08 22:05:10 UTC 2019-11-26 02:56:45 UTC FDB001927 Prenol Constituent of ylang-ylang and hop oils. Found in orange peel oil and various fruits e.g. orange, lemon, lime, grape, pineapple, purple passion fruit, loganberry etc. Flavouring ingredient. 2-Buten-1-ol, 3-methyl- 2-butenol, 3-methyl 3-Methyl-2-butene-1-ol 3-Methyl-2-butenol 3-Methyl-2-butenyl alcohol 3-methylbut-2-en-1-ol 3-Methylcrotyl alcohol 3,3-Dimethylallyl alcohol Butenol methyl Dimethylallyl alcohol FEMA 3647 Isopentenol Isopentenyl alcohol Methyl-3-but-2-en-1-ol Prenol Prenyl alcohol C5H10O 86.1323 86.073164942 3-methylbut-2-en-1-ol prenol 556-82-1 CC(C)=CCO InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 ASUAYTHWZCLXAN-UHFFFAOYSA-N belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Primary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Fatty alcohols a small molecule alkenyl alcohol prenols Liquid logp 0.92 ALOGPS logs 0.09 ALOGPS solubility 1.05e+02 g/l ALOGPS logp 0.84 ChemAxon pka_strongest_acidic 16.4 ChemAxon pka_strongest_basic -2.2 ChemAxon iupac 3-methylbut-2-en-1-ol ChemAxon average_mass 86.1323 ChemAxon mono_mass 86.073164942 ChemAxon smiles CC(C)=CCO ChemAxon formula C5H10O ChemAxon inchi InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 ChemAxon inchikey ASUAYTHWZCLXAN-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 27.38 ChemAxon polarizability 10.38 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18196 Specdb::CMs 41764 Specdb::CMs 162247 Specdb::MsIr 3834 Specdb::MsIr 3835 Specdb::EiMs 1569 Specdb::MsMs 102045 Specdb::MsMs 102046 Specdb::MsMs 102047 Specdb::MsMs 167772 Specdb::MsMs 167773 Specdb::MsMs 167774 Specdb::MsMs 2252583 Specdb::MsMs 2253890 Specdb::MsMs 2255950 Specdb::MsMs 2678527 Specdb::MsMs 2678528 Specdb::MsMs 2678529 Specdb::MsMs 3030098 Specdb::MsMs 3030099 Specdb::MsMs 3030100 HMDB30124 #<Reference:0x000055ce30879ef8> Blackcurrant Type 1 specific Ribes nigrum 78511 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Citrus Unknown generic Fats and oils Unknown generic Fruits Unknown generic Red raspberry Type 1 specific Rubus idaeus 32247 fruity green herb lavender