1.0
2010-04-08 22:05:36 UTC
2019-11-26 02:58:17 UTC
FDB002986
Ethyl decanoate
Present in sweet and sour cherry, pineapple, blackberry, plum, quince, cape gooseberry, pawpaw, crispbread, wines, spirits, cerimon (Monstera deliciosa) and roasted filbert. Flavouring agent. Ethyl decanoate is found in many foods, some of which are fruits, german camomile, nuts, and sweet marjoram.
Capric acid ethyl ester
Capric acid, ethyl ester
Decanoic acid, ethyl ester
Ethyl caprate
Ethyl caprinate
Ethyl decanoate
Ethyl decylate
Ethyl ester of decanoic acid
Ethyl n-decanoate
FEMA 2432
N-capric acid ethyl ester
C12H24O2
200.3178
200.177630012
ethyl decanoate
ethyl decanoate
110-38-3
CCCCCCCCCC(=O)OCC
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
RGXWDWUGBIJHDO-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
Wax monoesters
fatty acid ethyl ester
Liquid
logp
5.00
logs
-4.47
solubility
6.76e-03 g/l
melting_point
-20 oC
logp
4.09
pka_strongest_basic
-7
iupac
ethyl decanoate
average_mass
200.3178
mono_mass
200.177630012
smiles
CCCCCCCCCC(=O)OCC
formula
C12H24O2
inchi
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
inchikey
RGXWDWUGBIJHDO-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
59
polarizability
25.7
rotatable_bond_count
10
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
3192
Specdb::CMs
28193
Specdb::CMs
28221
Specdb::CMs
28693
Specdb::CMs
100580
Specdb::CMs
100581
Specdb::CMs
100582
Specdb::CMs
133836
Specdb::CMs
141570
Specdb::MsIr
4050
Specdb::MsIr
4051
Specdb::NmrOneD
4437
Specdb::NmrOneD
4555
Specdb::NmrOneD
314161
Specdb::NmrOneD
314162
Specdb::NmrOneD
314163
Specdb::NmrOneD
314164
Specdb::NmrOneD
314165
Specdb::NmrOneD
314166
Specdb::NmrOneD
314167
Specdb::NmrOneD
314168
Specdb::NmrOneD
314169
Specdb::NmrOneD
314170
Specdb::NmrOneD
314171
Specdb::NmrOneD
314172
Specdb::NmrOneD
314173
Specdb::NmrOneD
314174
Specdb::NmrOneD
314175
Specdb::NmrOneD
314176
Specdb::NmrOneD
314177
Specdb::NmrOneD
314178
Specdb::NmrOneD
314179
Specdb::NmrOneD
314180
Specdb::MsMs
9680
Specdb::MsMs
9681
Specdb::MsMs
9682
Specdb::MsMs
16352
Specdb::MsMs
16353
Specdb::MsMs
16354
Specdb::MsMs
2306253
Specdb::MsMs
2306254
Specdb::MsMs
2306255
Specdb::MsMs
3063421
Specdb::MsMs
3063422
Specdb::MsMs
3063423
HMDB30998
#<Reference:0x0000555674025510>
Alcoholic beverages
Unknown
generic
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Beer
Type 2
specific
2.74
2.74
2.74
mg/100 g
Blackberry
Type 1
specific
Rubus
Breakfast cereal
Type 2
specific
Cereals and cereal products
Unknown
generic
Evergreen blackberry
Type 1
specific
Rubus laciniatus
Fruits
Unknown
generic
German camomile
Type 1
specific
Matricaria recutita
127986
Guava
Type 1
specific
Psidium guajava
120290
Muskmelon
Type 1
specific
Cucumis melo
3656
Nuts
Unknown
generic
Pear
Type 1
specific
Pyrus communis
23211
Prickly pear
Type 1
specific
Opuntia
106975
Red wine
Type 2
2.06622
5.56
0.00556
mg/100 g
Sweet marjoram
Type 1
specific
Origanum majorana
268884
White wine
Type 2
0.6155
1.231
0.0
mg/100 g
apple
brandy
fruity
grape
oily
pear
sweet
waxy