1.0 2010-04-08 22:14:41 UTC 2019-11-26 03:18:06 UTC FDB019926 cis-3-Hexenyl formate Present in tea aroma, raspberry, cornmint oil and black chokeberry (Arronia melanocarpa Ell.). It is used in flavour compositions. cis-3-Hexenyl formate is found in tea, herbs and spices, and fruits. (3Z)-3-Hexenyl formate (Z)-3-Hexenyl format (Z)-3-Hexenyl formate (Z)-Hex-3-enyl formate &beta;,&laquo;gamma&raquo;-hexenyl methanoate 1-Formate(3Z)-3-hexen-1-ol 3-Hexen-1-ol, 1-formate, (3Z)- 3-Hexen-1-ol, formate, (3Z)- 3-Hexen-1-ol, formate, (Z)- 3-Hexenyl formate, cis- 3-Hexenyl methanoate, cis- beta ,Laquo gammaraquo -hexenyl methanoate Beta,gamma-hexenyl methanoate Cis-&beta;-hexenyl formate cis-3-Hexen-1-ol formate cis-3-Hexenyl formate cis-3-Hexenyl methanoate cis-beta -Hexenyl formate Cis-beta-hexenyl formate FEMA 3353 Formate(3Z)-3-hexen-1-ol Formate(Z)-3-hexen-1-ol C7H12O2 128.169 128.083729628 (3Z)-hex-3-en-1-yl formate 3-hexen-1-ol, formate, (3Z)- 33467-73-1 CC\C=C/CCOC=O InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3- XJHQVZQZUGLZLS-ARJAWSKDSA-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 logp 2.20 ALOGPS logs -1.83 ALOGPS solubility 1.91e+00 g/l ALOGPS logp 1.72 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (3Z)-hex-3-en-1-yl formate ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CC\C=C/CCOC=O ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3- ChemAxon inchikey XJHQVZQZUGLZLS-ARJAWSKDSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 37.11 ChemAxon polarizability 14.37 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8791 Specdb::MsIr 8792 Specdb::CMs 12151 Specdb::CMs 28336 Specdb::CMs 102073 Specdb::CMs 166784 Specdb::MsMs 105738 Specdb::MsMs 105739 Specdb::MsMs 105740 Specdb::MsMs 172293 Specdb::MsMs 172294 Specdb::MsMs 172295 Specdb::MsMs 2421072 Specdb::MsMs 2421073 Specdb::MsMs 2421074 Specdb::MsMs 2544553 Specdb::MsMs 2544554 Specdb::MsMs 2544555 Specdb::NmrOneD 39062 Specdb::NmrOneD 39063 Specdb::NmrOneD 39064 Specdb::NmrOneD 39065 Specdb::NmrOneD 39066 Specdb::NmrOneD 39067 Specdb::NmrOneD 39068 Specdb::NmrOneD 39069 Specdb::NmrOneD 39070 Specdb::NmrOneD 39071 Specdb::NmrOneD 39072 Specdb::NmrOneD 39073 Specdb::NmrOneD 39074 Specdb::NmrOneD 39075 Specdb::NmrOneD 39076 Specdb::NmrOneD 39077 Specdb::NmrOneD 39078 Specdb::NmrOneD 39079 Specdb::NmrOneD 39080 Specdb::NmrOneD 39081 HMDB40214 #<Reference:0x000055ce304b98e0> Black tea Type 1 Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 fresh grassy green sharp sweet vegetable waxy