1.0
2010-04-08 22:04:40 UTC
2019-11-26 02:55:15 UTC
FDB000700
Undecanoic acid
Undecylic acid (systematically named undecanoic acid) is a flavouring ingredient. It is a naturally-occurring carboxylic acid with chemical formula CH3(CH2)9COOH (Wikipedia). Undecanoic acid is found in many foods, some of which are coconut, fruits, fats and oils, and rice.
1-Decanecarboxylate
1-Decanecarboxylic acid
CH3-[CH2]9-COOH
Decane-1-carboxylic acid
FEMA 3245
Hendecanoate
Hendecanoic acid
N-Undecanoate
N-Undecanoic acid
N-Undecoate
N-Undecoic acid
N-Undecylate
N-Undecylic acid
UDA
Undecanoate
Undecoate
Undecoic acid
Undecylate
Undecylic acid
Undekansaeure
C11H22O2
186.2912
186.161979948
undecanoic acid
undecanoic acid
112-37-8
CCCCCCCCCCC(O)=O
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
ZDPHROOEEOARMN-UHFFFAOYSA-N
belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
Medium-chain fatty acids
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Straight chain fatty acids
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Medium-chain fatty acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Straight chain fatty acid
Straight chain fatty acids
Straight chain fatty acids
medium-chain fatty acid
straight-chain saturated fatty acid
Solid
logp
4.49
logs
-3.91
solubility
2.28e-02 g/l
melting_point
Mp 28.2-28.6°
logp
4.03
pka_strongest_acidic
4.95
iupac
undecanoic acid
average_mass
186.2912
mono_mass
186.161979948
smiles
CCCCCCCCCCC(O)=O
formula
C11H22O2
inchi
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
inchikey
ZDPHROOEEOARMN-UHFFFAOYSA-N
polar_surface_area
37.3
refractivity
54.08
polarizability
23.73
rotatable_bond_count
9
acceptor_count
2
donor_count
1
physiological_charge
-1
formal_charge
0
Specdb::EiMs
856
Specdb::NmrOneD
1617
Specdb::NmrOneD
2160
Specdb::NmrOneD
2847
Specdb::NmrOneD
5089
Specdb::NmrOneD
5090
Specdb::MsIr
984
Specdb::MsIr
985
Specdb::MsIr
986
Specdb::NmrTwoD
1558
Specdb::CMs
1246
Specdb::CMs
3146
Specdb::CMs
29474
Specdb::CMs
31266
Specdb::CMs
37858
Specdb::CMs
168141
Specdb::CMs
1082376
Specdb::MsMs
1342
Specdb::MsMs
1343
Specdb::MsMs
1344
Specdb::MsMs
4939
Specdb::MsMs
4940
Specdb::MsMs
4941
Specdb::MsMs
4942
Specdb::MsMs
4943
Specdb::MsMs
4944
Specdb::MsMs
179580
Specdb::MsMs
179581
Specdb::MsMs
179582
Specdb::MsMs
181911
Specdb::MsMs
181912
Specdb::MsMs
181913
Specdb::MsMs
285546
Specdb::MsMs
285547
Specdb::MsMs
285548
Specdb::MsMs
373916
Specdb::MsMs
373917
Specdb::MsMs
373918
Specdb::MsMs
438578
Specdb::MsMs
438579
Specdb::MsMs
438580
Specdb::MsMs
438581
HMDB00947
32368
11A
#<Reference:0x0000555674fa5c38>
#<Reference:0x0000555674fa5940>
#<Reference:0x0000555674fa4ab8>
#<Reference:0x0000555674fa4748>
#<Reference:0x0000555674fa4568>
#<Reference:0x0000555674fa4310>
#<Reference:0x0000555674fa4090>
#<Reference:0x0000555674f8bbd0>
#<Reference:0x0000555674f8b810>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Beer
Type 2
specific
0.0
0.0
0.0
mg/100 g
Bison
Type 1
specific
Bison bison
9901
Blackberry
Type 1
specific
Rubus
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Coconut
Type 1
specific
Cocos nucifera
13894
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Evergreen blackberry
Type 1
specific
Rubus laciniatus
Fats and oils
Unknown
generic
Fruits
Unknown
generic
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mandarin orange (Clementine, Tangerine)
Type 1
specific
Citrus reticulata
85571
0.1
0.1
0.1
mg/100 g
Milk (Cow)
Type 2
specific
0.464
0.516
0.38
uM
Milk and milk products
Unknown
generic
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rice
Type 1
specific
Oryza sativa
4530
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
cheese
coconut
creamy
fatty
oil
waxy