1.0
2010-04-08 22:12:37 UTC
2019-11-26 03:13:41 UTC
FDB016729
xi-Dihydro-4-methyl-2(3H)-furanone
Volatile flavour component of dried beans, e.g. soy beans. xi-Dihydro-4-methyl-2(3H)-furanone is found in pulses.
C5H8O2
100.1158
100.0524295
4-methyloxolan-2-one
4-methyldihydro-2(3H)-furanone
1679-49-8
CC1COC(=O)C1
InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3
ALZLTHLQMAFAPA-UHFFFAOYSA-N
belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
Gamma butyrolactones
Organic compounds
Organoheterocyclic compounds
Lactones
Gamma butyrolactones
Aliphatic heteromonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Oxacyclic compounds
Tetrahydrofurans
Aliphatic heteromonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Gamma butyrolactone
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
Tetrahydrofuran
logp
0.41
logs
-0.04
solubility
9.04e+01 g/l
logp
0.51
pka_strongest_basic
-7
iupac
4-methyloxolan-2-one
average_mass
100.1158
mono_mass
100.0524295
smiles
CC1COC(=O)C1
formula
C5H8O2
inchi
InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3
inchikey
ALZLTHLQMAFAPA-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
24.78
polarizability
10.12
rotatable_bond_count
0
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
1656
Specdb::MsIr
1657
Specdb::CMs
21165
Specdb::CMs
169151
Specdb::MsMs
71775
Specdb::MsMs
71776
Specdb::MsMs
71777
Specdb::MsMs
130515
Specdb::MsMs
130516
Specdb::MsMs
130517
Specdb::MsMs
2284006
Specdb::MsMs
2284007
Specdb::MsMs
2284008
Specdb::MsMs
3081510
Specdb::MsMs
3081511
Specdb::MsMs
3081512
Specdb::NmrOneD
10122
Specdb::NmrOneD
10123
Specdb::NmrOneD
10124
Specdb::NmrOneD
10125
Specdb::NmrOneD
10126
Specdb::NmrOneD
10127
Specdb::NmrOneD
10128
Specdb::NmrOneD
10129
Specdb::NmrOneD
10130
Specdb::NmrOneD
10131
Specdb::NmrOneD
10132
Specdb::NmrOneD
10133
Specdb::NmrOneD
10134
Specdb::NmrOneD
10135
Specdb::NmrOneD
10136
Specdb::NmrOneD
10137
Specdb::NmrOneD
10138
Specdb::NmrOneD
10139
Specdb::NmrOneD
10140
Specdb::NmrOneD
10141
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
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
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
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Pulses
Unknown
generic
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
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