1.0
2010-04-08 22:05:44 UTC
2026-09-18 19:39:50 UTC
FDB003296
4-Oxopentanoic acid
Found in beet, caramel etcand is also reported in papaya (Carica papaya), wheat bread, rice bran, sake and Chinese quince fruit (Chaenomeles legenaria)and is also production by lychee (Litchi chinensis), Malabar spinach (Basella rubra) and Phyllophora subspecies Flavour ingredient.
β-Acetylpropionic acid
3-Acetylpropionate
3-Acetylpropionic acid
3-Ketobutane-1-carboxylate
3-Ketobutane-1-carboxylic acid
4-Ketovalerate
4-Ketovaleric acid
4-Oxopentanoate
4-Oxovalerate
4-Oxovaleric acid
Acetopropionic acid
Acetylpropionic acid
b-Acetylpropionate
b-Acetylpropionic acid
beta-Acetylpropionate
beta-Acetylpropionic acid
Centopropionic acid
FEMA 2627
g-Ketovalerate
g-ketovaleric acid
gamma-Ketovalerate
gamma-Ketovaleric acid
Laevulic acid
Laevulinate
Laevulinic acid
Laevulinsaeure
LEVA
Levulate
Levulic acid
Levulinate
Levulinic acid
Levulinic acid, 8CI
Levulinsaeure
Pentanoic acid, 4-oxo
Pentanoic acid, 4-oxo-
Propionic acid, 3-acetyl-
Valeric acid, 4-oxo-
β-acetylpropionate
β-acetylpropionic acid
γ-ketovalerate
γ-ketovaleric acid
C5H8O3
116.1152
116.047344122
4-oxopentanoic acid
levulinic acid
123-76-2
CC(=O)CCC(O)=O
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
JOOXCMJARBKPKM-UHFFFAOYSA-N
belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
Gamma-keto acids and derivatives
Organic compounds
Organic acids and derivatives
Keto acids and derivatives
Gamma-keto acids and derivatives
Aliphatic acyclic compounds
Carboxylic acids
Hydrocarbon derivatives
Ketones
Monocarboxylic acids and derivatives
Organic oxides
Short-chain keto acids and derivatives
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Gamma-keto acid
Hydrocarbon derivative
Ketone
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Short-chain keto acid
Oxo fatty acids
oxopentanoic acid
straight-chain saturated fatty acid
Liquid
logp
-0.14
ALOGPS
logs
0.08
ALOGPS
solubility
1.39e+02 g/l
ALOGPS
melting_point
Mp 33.5°
logp
-0.069
ChemAxon
pka_strongest_acidic
4.32
ChemAxon
pka_strongest_basic
-7.3
ChemAxon
iupac
4-oxopentanoic acid
ChemAxon
average_mass
116.1152
ChemAxon
mono_mass
116.047344122
ChemAxon
smiles
CC(=O)CCC(O)=O
ChemAxon
formula
C5H8O3
ChemAxon
inchi
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
ChemAxon
inchikey
JOOXCMJARBKPKM-UHFFFAOYSA-N
ChemAxon
polar_surface_area
54.37
ChemAxon
refractivity
27.09
ChemAxon
polarizability
11.23
ChemAxon
rotatable_bond_count
3
ChemAxon
acceptor_count
3
ChemAxon
donor_count
1
ChemAxon
physiological_charge
-1
ChemAxon
formal_charge
0
ChemAxon
Specdb::NmrTwoD
1445
Specdb::MsIr
787
Specdb::MsIr
788
Specdb::MsIr
789
Specdb::NmrOneD
1499
Specdb::NmrOneD
7462
Specdb::NmrOneD
7463
Specdb::NmrOneD
7464
Specdb::NmrOneD
7465
Specdb::NmrOneD
7466
Specdb::NmrOneD
7467
Specdb::NmrOneD
7468
Specdb::NmrOneD
7469
Specdb::NmrOneD
7470
Specdb::NmrOneD
7471
Specdb::NmrOneD
7472
Specdb::NmrOneD
7473
Specdb::NmrOneD
7474
Specdb::NmrOneD
7475
Specdb::NmrOneD
7476
Specdb::NmrOneD
7477
Specdb::NmrOneD
7478
Specdb::NmrOneD
7479
Specdb::NmrOneD
7480
Specdb::NmrOneD
7481
Specdb::CMs
970
Specdb::CMs
980
Specdb::CMs
6213
Specdb::CMs
27919
Specdb::CMs
29733
Specdb::CMs
29741
Specdb::CMs
31212
Specdb::CMs
31213
Specdb::CMs
37720
Specdb::CMs
172891
Specdb::CMs
1072757
Specdb::CMs
1072759
Specdb::CMs
1072760
Specdb::CMs
1072761
Specdb::CMs
1072763
Specdb::MsMs
1011
Specdb::MsMs
1012
Specdb::MsMs
1013
Specdb::MsMs
4544
Specdb::MsMs
246117
Specdb::MsMs
246118
Specdb::MsMs
246119
Specdb::MsMs
266061
Specdb::MsMs
266062
Specdb::MsMs
266063
Specdb::MsMs
2244752
Specdb::MsMs
2246856
Specdb::MsMs
2247413
Specdb::MsMs
2269810
Specdb::MsMs
2269811
Specdb::MsMs
2269812
Specdb::MsMs
3072186
Specdb::MsMs
3072187
Specdb::MsMs
3072188
HMDB00720
SHF
#<Reference:0x0000558be9251938>
#<Reference:0x0000558be9251028>
#<Reference:0x0000558be92506c8>
#<Reference:0x0000558be9250448>
#<Reference:0x0000558be9250268>
#<Reference:0x0000558be924ff48>
#<Reference:0x0000558be924fd40>
Alcoholic beverages
Unknown
generic
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Brassicas
Unknown
generic
3705
Breakfast cereal
Type 2
specific
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Cereals and cereal products
Unknown
generic
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columba
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
Animal
Capra aegagrus hircus
9925
Domestic pig
Type 1
Animal
Sus scrofa domesticus
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus cuniculus
9984
Fruits
Unknown
generic
Green vegetables
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
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus hemionus
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
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Root vegetables
Unknown
generic
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
acetoin
acidic
buttery
caramel
sweet
Anti bacterial
145
A substance that kills or slows the growth of bacteria.
Anti-oxidant
502
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.
Gst-Inducer
1886