1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:16 UTC FDB020002 Neryl formate Food flavouring. Neryl formate is found in lime, lemon, and sweet orange. (2e)-3,7-Dimethyl-2,6-octadien-1-ol, 1-formate (e)-3,7-Dimethyl-2,6-octadienyl formate 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2Z)- 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2Z)- 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (Z)- 3,7-Dimethyl-1-formate(2e)-2,6-octadien-1-ol 3,7-Dimethyl-2,6-octadien-1-yl formate, cis- 3,7-Dimethyl-2,6-octadien-1-yl methanoate, cis- 3,7-Dimethyl-2,6-octadienyl ester(e)-formic acid 3,7-Dimethyl-2,6-octadienyl formate, (Z)- 3,7-Dimethyl-formate(2e)-2,6-octadien-1-ol 3,7-Dimethyl-formate(e)-2,6-octadien-1-ol cis-3,7-Dimethyl-2,6-octadien-1-ol formate FEMA 2776 Formic acid, geraniol ester Formic acid, neryl ester Neryl 2-methylpropanoate Neryl formate Neryl methanoate C11H18O2 182.2594 182.13067982 (2Z)-3,7-dimethylocta-2,6-dien-1-yl formate (2Z)-3,7-dimethylocta-2,6-dien-1-yl formate 105-86-2 CC(C)=CCC\C(C)=C/COC=O InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7- FQMZVFJYMPNUCT-XFFZJAGNSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Acyclic monoterpenoids Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Acyclic monoterpenoid Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters logp 3.73 ALOGPS logs -2.77 ALOGPS solubility 3.07e-01 g/l ALOGPS logp 2.89 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (2Z)-3,7-dimethylocta-2,6-dien-1-yl formate ChemAxon average_mass 182.2594 ChemAxon mono_mass 182.13067982 ChemAxon smiles CC(C)=CCC\C(C)=C/COC=O ChemAxon formula C11H18O2 ChemAxon inchi InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7- ChemAxon inchikey FQMZVFJYMPNUCT-XFFZJAGNSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.84 ChemAxon polarizability 21.55 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11622 Specdb::CMs 28343 Specdb::CMs 101710 Specdb::CMs 152429 Specdb::MsIr 6821 Specdb::MsIr 6822 Specdb::MsMs 85746 Specdb::MsMs 85747 Specdb::MsMs 85748 Specdb::MsMs 147888 Specdb::MsMs 147889 Specdb::MsMs 147890 Specdb::MsMs 2773451 Specdb::MsMs 2773452 Specdb::MsMs 2773453 Specdb::MsMs 2905383 Specdb::MsMs 2905384 Specdb::MsMs 2905385 HMDB35156 #<Reference:0x000055ce31db15a0> Lemon Type 1 specific Citrus limon 2708 2.0 2.0 2.0 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 2.0 2.0 2.0 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 1.0 1.0 1.0 mg/100 g fruity geranium green herbal rose tea Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.