1.0 2010-04-08 22:07:54 UTC 2019-11-26 03:01:59 UTC FDB008054 Heptyl acetate Present in apple, apricot, banana, orange peel, lemon peel, melon, Bartlett pears, other fruits, heated beef fat, ginger, wines and spirits. Flavouring ingredient Heptyl acetate (C9H18O2), also known as heptanyl acetate and acetate C-7, is a colorless alcohol-soluble liquid that is the ester formed by the condensation of 1-heptanol and acetic acid. Heptyl acetate is found in many foods, some of which are pomes, alcoholic beverages, fruits, and herbs and spices. 1-Heptyl acetate Acetate C-7 Acetate C7 Acetic acid n-heptyl ester Acetic acid, heptyl ester FEMA 2547 Heptanol acetate Heptanyl acetate Heptyl acetate Heptyl ethanoate N-heptyl acetate N-heptyl ethanoate C9H18O2 158.238 158.13067982 heptyl acetate heptyl acetate 112-06-1 CCCCCCCOC(C)=O InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 ZCZSIDMEHXZRLG-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters logp 3.58 ALOGPS logs -3.18 ALOGPS solubility 1.05e-01 g/l ALOGPS melting_point Fp -50° logp 2.58 ChemAxon pka_strongest_basic -7 ChemAxon iupac heptyl acetate ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCCCCCOC(C)=O ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 ChemAxon inchikey ZCZSIDMEHXZRLG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.09 ChemAxon polarizability 19.54 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4494 Specdb::MsIr 4495 Specdb::CMs 3238 Specdb::CMs 26980 Specdb::CMs 27250 Specdb::CMs 28454 Specdb::CMs 100808 Specdb::CMs 100809 Specdb::CMs 100810 Specdb::CMs 159587 Specdb::MsMs 8765 Specdb::MsMs 8766 Specdb::MsMs 8767 Specdb::MsMs 15437 Specdb::MsMs 15438 Specdb::MsMs 15439 Specdb::MsMs 2268889 Specdb::MsMs 2268890 Specdb::MsMs 2268891 Specdb::MsMs 3073068 Specdb::MsMs 3073069 Specdb::MsMs 3073070 Specdb::NmrOneD 4441 Specdb::NmrOneD 4559 Specdb::NmrOneD 343428 Specdb::NmrOneD 343429 Specdb::NmrOneD 343430 Specdb::NmrOneD 343431 Specdb::NmrOneD 343432 Specdb::NmrOneD 343433 Specdb::NmrOneD 343434 Specdb::NmrOneD 343435 Specdb::NmrOneD 343436 Specdb::NmrOneD 343437 Specdb::NmrOneD 343438 Specdb::NmrOneD 343439 Specdb::NmrOneD 343440 Specdb::NmrOneD 343441 Specdb::NmrOneD 343442 Specdb::NmrOneD 343443 Specdb::NmrOneD 343444 Specdb::NmrOneD 343445 Specdb::NmrOneD 343446 Specdb::NmrOneD 343447 HMDB31480 #<Reference:0x000055ce32568848> Alcoholic beverages Unknown generic Asian pear Type 1 specific Pyrus pyrifolia 3767 Citrus Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic Muskmelon Type 1 specific Cucumis melo 3656 Pear Type 1 specific Pyrus communis 23211 Pomes Unknown generic Red wine Type 2 34.034 68.0 0.068 mg/100 g apricot fresh fruit green pear ripe rum woody Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.