1.0
2010-04-08 22:07:54 UTC
2019-11-26 03:02:02 UTC
FDB008077
5-Methyl-delta-valerolactone
Isolated from coconut oil (Cocos nucifera), heated milk fat, butter, chicken fat and yoghurtand is also in various fruits e.g. papaya, pineapple, raspberry, strawberry and plums [DFC]. 5-Methyl-delta-valerolactone is found in milk and milk products, animal foods, and fruits.
(RS)-delta-Hexalactone
5-Caprolactone
5-Hexanolactone
5-Hexanolide
5-hydroxy-Hexanoic acid lactone
5-Hydroxyhexanoic acid lactone
5-Methyl-d-valerolactone
5-Methyl-delta-valerolactone
6-Methyl-d-valerolactone
6-Methyltetrahydro-2H-pyran-2-one
6-Methylvalerolactone
d-Hexalactone
delta-Caprolactone
delta-Hexalactone
delta-Hexanolactone
delta-Hexanolide
delta-Methyl-delta-valerolactone
Dihydrosorbinol
FEMA 3167
Hexanolactone
Tetrahydro-6-methyl-2H-pyran-2-one
C6H10O2
114.1424
114.068079564
6-methyloxan-2-one
hexanolactone
823-22-3
CC1CCCC(=O)O1
InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
RZTOWFMDBDPERY-UHFFFAOYSA-N
belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
Delta valerolactones
Organic compounds
Organoheterocyclic compounds
Lactones
Delta valerolactones
Aliphatic heteromonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Oxacyclic compounds
Oxanes
Aliphatic heteromonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Delta valerolactone
Delta_valerolactone
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
Oxane
Solid
logp
0.93
logs
-0.68
solubility
2.41e+01 g/l
logp
1.01
pka_strongest_basic
-7
iupac
6-methyloxan-2-one
average_mass
114.1424
mono_mass
114.068079564
smiles
CC1CCCC(=O)O1
formula
C6H10O2
inchi
InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
inchikey
RZTOWFMDBDPERY-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
29.33
polarizability
12.12
rotatable_bond_count
0
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
535
Specdb::MsIr
536
Specdb::NmrTwoD
1321
Specdb::CMs
24934
Specdb::CMs
29265
Specdb::CMs
99570
Specdb::CMs
174040
Specdb::NmrOneD
1377
Specdb::NmrOneD
143990
Specdb::NmrOneD
143991
Specdb::NmrOneD
143992
Specdb::NmrOneD
143993
Specdb::NmrOneD
143994
Specdb::NmrOneD
143995
Specdb::NmrOneD
143996
Specdb::NmrOneD
143997
Specdb::NmrOneD
143998
Specdb::NmrOneD
143999
Specdb::NmrOneD
144000
Specdb::NmrOneD
144001
Specdb::NmrOneD
144002
Specdb::NmrOneD
144003
Specdb::NmrOneD
144004
Specdb::NmrOneD
144005
Specdb::NmrOneD
144006
Specdb::NmrOneD
144007
Specdb::NmrOneD
144008
Specdb::NmrOneD
144009
Specdb::MsMs
662
Specdb::MsMs
663
Specdb::MsMs
664
Specdb::MsMs
4077
Specdb::MsMs
12896
Specdb::MsMs
12897
Specdb::MsMs
12898
Specdb::MsMs
19568
Specdb::MsMs
19569
Specdb::MsMs
19570
Specdb::MsMs
2766782
Specdb::MsMs
2766783
Specdb::MsMs
2766784
Specdb::MsMs
2911796
Specdb::MsMs
2911797
Specdb::MsMs
2911798
HMDB00453
#<Reference:0x0000555675a61280>
#<Reference:0x0000555675a610c8>
#<Reference:0x0000555675a60ec0>
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
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
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
herbal
sweet