1.0 2010-04-08 22:06:02 UTC 2025-11-18 22:54:36 UTC FDB003994 alpha-Terpinyl acetate (±)-alpha-terpinyl acetate, also known as P-menth-1-en-8-yl acetate or (±)-α-terpinyl acetic acid, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids 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. Thus, (±)-alpha-terpinyl acetate is considered to be an isoprenoid lipid molecule (±)-alpha-terpinyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-alpha-terpinyl acetate is a bergamot, citrus, and herbal tasting compound and can be found in a number of food items such as hyssop, rosemary, sweet bay, and roselle, which makes (±)-alpha-terpinyl acetate a potential biomarker for the consumption of these food products (±)-alpha-terpinyl acetate can be found primarily in saliva. alpha-Terpenyl acetate alpha-Terpinyl acetate Terpineol acetate C12H20O2 196.286 196.146329884 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate α-terpinyl acetate 8007-35-0 CC(=O)OC(C)(C)C1CCC(C)=CC1 InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3 IGODOXYLBBXFDW-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Cyclic monoterpenes Menthane monoterpenoids Menthane monoterpenoids p-menthane monoterpenoid logp 4.32 ALOGPS logs -3.14 ALOGPS solubility 1.42e-01 g/l ALOGPS logp 2.62 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CC(=O)OC(C)(C)C1CCC(C)=CC1 ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3 ChemAxon inchikey IGODOXYLBBXFDW-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 57.61 ChemAxon polarizability 23.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4273 Specdb::CMs 3078 Specdb::CMs 28346 Specdb::CMs 101026 Specdb::CMs 146118 Specdb::MsIr 5055 Specdb::MsIr 5056 Specdb::MsMs 106608 Specdb::MsMs 106609 Specdb::MsMs 106610 Specdb::MsMs 173409 Specdb::MsMs 173410 Specdb::MsMs 173411 Specdb::MsMs 2845298 Specdb::MsMs 2845299 Specdb::MsMs 2845300 Specdb::MsMs 2861092 Specdb::MsMs 2861093 Specdb::MsMs 2861094 HMDB0032051 Cardamom Type 1 specific Elettaria cardamomum 105181 Carrot Type 1 specific Daucus carota ssp. sativus 79200 74.6 74.6 74.6 mg/100 g Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Hyssop Type 1 specific Hyssopus officinalis 39324 Wild carrot Type 1 specific Daucus carota 4039 74.6 74.6 74.6 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 bergamot herbal pine sweet wax Insectifuge 1041 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.