1.0
2010-04-08 22:14:40 UTC
2019-11-26 03:18:01 UTC
FDB019905
Ethyl nonanoate
Ethyl nonanoate is a flavouring ingredient. It is found in pineapple, banana and apple.
Ethyl n-nonanoate
Ethyl nonanoate
Ethyl nonylate
Ethyl pelargonate
FEMA 2447
Nonanoic acid ethyl ester
Nonanoic acid, ethyl ester
Wine ether
C11H22O2
186.2912
186.161979948
ethyl nonanoate
ethyl nonanoate
123-29-5
CCCCCCCCC(=O)OCC
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
BYEVBITUADOIGY-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid 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 acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
fatty acid ethyl ester
logp
4.45
logs
-3.86
solubility
2.56e-02 g/l
melting_point
Mp -44.5°
logp
3.65
pka_strongest_basic
-7
iupac
ethyl nonanoate
average_mass
186.2912
mono_mass
186.161979948
smiles
CCCCCCCCC(=O)OCC
formula
C11H22O2
inchi
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
inchikey
BYEVBITUADOIGY-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
54.39
polarizability
23.76
rotatable_bond_count
9
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
2514
Specdb::CMs
27362
Specdb::CMs
28576
Specdb::CMs
29059
Specdb::CMs
102053
Specdb::CMs
102054
Specdb::CMs
102055
Specdb::CMs
145939
Specdb::NmrOneD
4448
Specdb::NmrOneD
4567
Specdb::NmrOneD
341128
Specdb::NmrOneD
341129
Specdb::NmrOneD
341130
Specdb::NmrOneD
341131
Specdb::NmrOneD
341132
Specdb::NmrOneD
341133
Specdb::NmrOneD
341134
Specdb::NmrOneD
341135
Specdb::NmrOneD
341136
Specdb::NmrOneD
341137
Specdb::NmrOneD
341138
Specdb::NmrOneD
341139
Specdb::NmrOneD
341140
Specdb::NmrOneD
341141
Specdb::NmrOneD
341142
Specdb::NmrOneD
341143
Specdb::NmrOneD
341144
Specdb::NmrOneD
341145
Specdb::NmrOneD
341146
Specdb::NmrOneD
341147
Specdb::MsIr
8748
Specdb::MsIr
8749
Specdb::MsMs
64623
Specdb::MsMs
64624
Specdb::MsMs
64625
Specdb::MsMs
121839
Specdb::MsMs
121840
Specdb::MsMs
121841
Specdb::MsMs
2444908
Specdb::MsMs
2444909
Specdb::MsMs
2444910
Specdb::MsMs
2521567
Specdb::MsMs
2521568
Specdb::MsMs
2521569
HMDB40193
#<Reference:0x00005556756c8d30>
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Fruits
Unknown
generic
Pomes
Unknown
generic
Prickly pear
Type 1
specific
Opuntia
106975
Red wine
Type 2
0.0
0.0
0.0
mg/100 g
fruity
natural
rose
rum
tropical
waxy
wine