1.0
2010-04-08 22:07:58 UTC
2019-11-26 03:02:16 UTC
FDB008200
Ethyl heptanoate
Found in fruits, e.g. apple, apricot, grapefruit, strawberry etcand is also present in pea, Parmesan cheese, butter, fish oil, hop oil, wine, Bantu beer, apple brandy. Flavouring agent; used in fruit aroma compositions
Oenanthic ether is an odorous substance (ester) (PMID 15474656) present in human sweat (PMID 8887339).
Aether oenanthicus
Cognac oil
Enanthic acid ethyl ester
Enanthylic ether
Ethyl enantate
Ethyl enanthate
Ethyl ester of heptanoic acid
Ethyl heptanoate
Ethyl heptanoic acid
Ethyl heptoate
Ethyl heptoic acid
Ethyl heptylate
Ethyl n-heptanoate
Ethyl n-heptanoic acid
Ethyl oenanthate
Ethyl oenanthylate
FEMA 2437
Grape oil
Heptanoic acid ethyl ester
Heptanoic acid, ethyl ester
Oenanthic ether
Oleum vitis viniferae
Wine oil
C9H18O2
158.238
158.13067982
ethyl heptanoate
wine oil
106-30-9
CCCCCCC(=O)OCC
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
TVQGDYNRXLTQAP-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
Liquid
logp
3.39
logs
-2.72
solubility
3.05e-01 g/l
melting_point
Fp -66.1°
logp
2.76
pka_strongest_basic
-7
iupac
ethyl heptanoate
average_mass
158.238
mono_mass
158.13067982
smiles
CCCCCCC(=O)OCC
formula
C9H18O2
inchi
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
inchikey
TVQGDYNRXLTQAP-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
45.19
polarizability
19.56
rotatable_bond_count
7
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::NmrTwoD
1489
Specdb::NmrOneD
1545
Specdb::NmrOneD
4689
Specdb::NmrOneD
5043
Specdb::NmrOneD
5044
Specdb::CMs
3061
Specdb::CMs
28389
Specdb::CMs
99607
Specdb::CMs
155282
Specdb::MsIr
864
Specdb::MsIr
865
Specdb::MsMs
1135
Specdb::MsMs
1136
Specdb::MsMs
1137
Specdb::MsMs
4680
Specdb::MsMs
10841
Specdb::MsMs
10842
Specdb::MsMs
10843
Specdb::MsMs
17513
Specdb::MsMs
17514
Specdb::MsMs
17515
Specdb::MsMs
2684949
Specdb::MsMs
2684950
Specdb::MsMs
2684951
Specdb::MsMs
3024666
Specdb::MsMs
3024667
Specdb::MsMs
3024668
HMDB00798
#<Reference:0x0000555670e21280>
#<Reference:0x0000555670e21050>
Alcoholic beverages
Unknown
generic
Anatidae
Type 1
specific
Anatidae
8830
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
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
Citrus
Unknown
generic
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
Fishes
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
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
Pomes
Unknown
generic
Prickly pear
Type 1
specific
Opuntia
106975
Pulses
Unknown
generic
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Red wine
Type 2
0.0
0.0
0.0
mg/100 g
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
cognac
fruit
fruity
melon
pineapple
plum
rum
wine