1.0 2011-03-30 21:42:04 UTC 2015-07-21 06:55:51 UTC FDB021764 4-Methylbenzyl alcohol Cosmetic and flavouring ingredient [CCD] 1-Hydroxymethyl-4-methylbenzene 4-(Hydroxymethyl)toluene 4-Methylbenzenemethanol, 9CI 4-Methylbenzyl alcohol a-Hydroxy-p-xylene P-Methylbenzyl alcohol P-Tolylcarbinol p-Tolylmethanol α-hydroxy-P-xylene C8H10O 122.167 122.073164942 (4-methylphenyl)methanol 4-methylbenzyl alcohol 589-18-4 CC1=CC=C(CO)C=C1 InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 KMTDMTZBNYGUNX-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure. Benzyl alcohols Organic compounds Benzenoids Benzene and substituted derivatives Benzyl alcohols Aromatic homomonocyclic compounds Aromatic alcohols Hydrocarbon derivatives Primary alcohols Toluenes Alcohol Aromatic alcohol Aromatic homomonocyclic compound Benzyl alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Toluene a small molecule methylbenzyl alcohol logp 1.54 ALOGPS logs -1.10 ALOGPS solubility 9.77e+00 g/l ALOGPS melting_point Mp 61-62° (57-58°) logp 1.72 ChemAxon pka_strongest_acidic 15.06 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (4-methylphenyl)methanol ChemAxon average_mass 122.167 ChemAxon mono_mass 122.073164942 ChemAxon smiles CC1=CC=C(CO)C=C1 ChemAxon formula C8H10O ChemAxon inchi InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 ChemAxon inchikey KMTDMTZBNYGUNX-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 37.92 ChemAxon polarizability 14.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24204 Specdb::CMs 28248 Specdb::CMs 29434 Specdb::CMs 32217 Specdb::CMs 47412 Specdb::CMs 102238 Specdb::CMs 102239 Specdb::CMs 102240 Specdb::CMs 170499 Specdb::MsMs 100470 Specdb::MsMs 100471 Specdb::MsMs 100472 Specdb::MsMs 165807 Specdb::MsMs 165808 Specdb::MsMs 165809 Specdb::MsMs 2749429 Specdb::MsMs 2749430 Specdb::MsMs 2749431 Specdb::MsMs 2933370 Specdb::MsMs 2933371 Specdb::MsMs 2933372 Specdb::MsIr 9342 Specdb::MsIr 9343 Specdb::NmrOneD 48562 Specdb::NmrOneD 48563 Specdb::NmrOneD 48564 Specdb::NmrOneD 48565 Specdb::NmrOneD 48566 Specdb::NmrOneD 48567 Specdb::NmrOneD 48568 Specdb::NmrOneD 48569 Specdb::NmrOneD 48570 Specdb::NmrOneD 48571 Specdb::NmrOneD 48572 Specdb::NmrOneD 48573 Specdb::NmrOneD 48574 Specdb::NmrOneD 48575 Specdb::NmrOneD 48576 Specdb::NmrOneD 48577 Specdb::NmrOneD 48578 Specdb::NmrOneD 48579 Specdb::NmrOneD 48580 Specdb::NmrOneD 48581 HMDB41609 #<Reference:0x000055ce331e7588> floral mild