1.0 2010-04-08 22:12:58 UTC 2019-11-26 03:14:30 UTC FDB017235 xi-p-Menth-3-en-1-ol Constituent of oregano (Origanum vulgare), lime peel (Citrus aurantifolia) and mandarin peeland is) also present in grapefruit juice, cognac, wines, cocoa, black tea and cardamon. Flavouring agent. xi-p-Menth-3-en-1-ol is found in many foods, some of which are herbs and spices, cocoa and cocoa products, citrus, and tea. C10H18O 154.2493 154.135765198 1-methyl-4-(propan-2-yl)cyclohex-3-en-1-ol 4-isopropyl-1-methylcyclohex-3-en-1-ol CC(C)C1=CCC(C)(O)CC1 InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3 XJWZDXFFNOMMTD-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Monocyclic monoterpenoids Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Tertiary alcohol logp 2.91 ALOGPS logs -1.90 ALOGPS solubility 1.92e+00 g/l ALOGPS logp 2.17 ChemAxon pka_strongest_acidic 18.87 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 1-methyl-4-(propan-2-yl)cyclohex-3-en-1-ol ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC(C)C1=CCC(C)(O)CC1 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3 ChemAxon inchikey XJWZDXFFNOMMTD-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 48.46 ChemAxon polarizability 18.93 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7786 Specdb::MsIr 7787 Specdb::MsIr 7788 Specdb::CMs 2498 Specdb::CMs 28817 Specdb::CMs 45647 Specdb::CMs 101918 Specdb::CMs 132810 Specdb::CMs 140544 Specdb::NmrOneD 24502 Specdb::NmrOneD 24503 Specdb::NmrOneD 24504 Specdb::NmrOneD 24505 Specdb::NmrOneD 24506 Specdb::NmrOneD 24507 Specdb::NmrOneD 24508 Specdb::NmrOneD 24509 Specdb::NmrOneD 24510 Specdb::NmrOneD 24511 Specdb::NmrOneD 24512 Specdb::NmrOneD 24513 Specdb::NmrOneD 24514 Specdb::NmrOneD 24515 Specdb::NmrOneD 24516 Specdb::NmrOneD 24517 Specdb::NmrOneD 24518 Specdb::NmrOneD 24519 Specdb::NmrOneD 24520 Specdb::NmrOneD 24521 Specdb::MsMs 60924 Specdb::MsMs 60925 Specdb::MsMs 60926 Specdb::MsMs 117366 Specdb::MsMs 117367 Specdb::MsMs 117368 Specdb::MsMs 2753740 Specdb::MsMs 2753741 Specdb::MsMs 2753742 Specdb::MsMs 2952429 Specdb::MsMs 2952430 Specdb::MsMs 2952431 HMDB38025 #<Reference:0x000055ce31a577b0> Alcoholic beverages Unknown generic Black tea Type 1 Citrus Unknown generic Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442