1.0
2010-04-08 22:12:17 UTC
2015-07-20 23:26:48 UTC
FDB016189
Rhodinyl propionate
Flavouring ingredient
3,7-Dimethyl-7-octen-1-yl propanoate
3,7-Dimethyl-7-octen-1-yl propionate
7-Octen-1-ol, 3,7-dimethyl-, propanoate
7-Octen-1-ol, 3,7-dimethyl-, propionate
FEMA 2986
C13H24O2
212.3285
212.177630012
3,7-dimethyloct-7-en-1-yl propanoate
3,7-dimethyloct-7-en-1-yl propanoate
105-89-5
CCC(=O)OCCC(C)CCCC(C)=C
InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3
HIOFEMJTKIEZFX-UHFFFAOYSA-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
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
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
logp
4.33
logs
-4.01
solubility
2.06e-02 g/l
logp
3.95
pka_strongest_basic
-7
iupac
3,7-dimethyloct-7-en-1-yl propanoate
average_mass
212.3285
mono_mass
212.177630012
smiles
CCC(=O)OCCC(C)CCCC(C)=C
formula
C13H24O2
inchi
InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3
inchikey
HIOFEMJTKIEZFX-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
63.19
polarizability
26.56
rotatable_bond_count
9
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
23994
Specdb::CMs
160529
Specdb::MsMs
64284
Specdb::MsMs
64285
Specdb::MsMs
64286
Specdb::MsMs
121398
Specdb::MsMs
121399
Specdb::MsMs
121400
Specdb::MsMs
2445793
Specdb::MsMs
2445794
Specdb::MsMs
2445795
Specdb::MsMs
2517408
Specdb::MsMs
2517409
Specdb::MsMs
2517410
HMDB37187
#<Reference:0x0000555673919d98>
geranium
rose
verbena