1.0 2016-05-19 02:22:34 UTC 2026-04-02 22:25:26 UTC PHYTYL ACETATE SmallMolecule Phytyl acetate is an organic compound with the formula C22H42O2 and an average molecular weight of 338.58 g/mol. PHYTYL ACETATE belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, the compound is used as a fragrance, as well as a flavouring and nutrient. It has been recorded in indoor air, specifically within air, dust, and atmospheric transport. The recorded route of exposure for this substance is inhalation. C22H42O2 338.576 338.318480592 (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate 10236-16-5 [H]\C(COC(C)=O)=C(\C)CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1 JIGCTXHIECXYRJ-ILWBRPEASA-N Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Acyclic diterpenoids Carbonyl compounds Carboxylic acid esters Fatty alcohol esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Acyclic diterpenoid Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Detected and Not Quantified logp 8.22 ALOGPS logs -6.92 ALOGPS solubility 4.03e-05 g/l ALOGPS logp 7.48 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate ChemAxon average_mass 338.576 ChemAxon mono_mass 338.318480592 ChemAxon smiles [H]\C(COC(C)=O)=C(\C)CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C ChemAxon formula C22H42O2 ChemAxon inchi InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1 ChemAxon inchikey JIGCTXHIECXYRJ-ILWBRPEASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 105.39 ChemAxon polarizability 44.71 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3c59428> 6428538 4933940