1.0
2010-04-08 22:11:37 UTC
2015-07-20 23:14:02 UTC
FDB015036
4,4-Dibutyl-gamma-butyrolactone
Flavouring ingredient
2(3H)-Furanone, 5,5-dibutyldihydro-
4-Butyl-4-hydroxyoctanoic acid lactone
4,4-Dibutyl-4-hydroxybutyric acid gamma-lactone
4,4-Dibutyl-g-butyrolactone
4,4-Dibutyl-gamma-butyrolactone
5,5-Dibutyl-4,5-dihydro-2(3H)furanone
5,5-Dibutyldihydro-2(3H)-furanone
5,5-Dibutyldihydrofuran-2(3H)-one
Dibutylbutyrolactone
FEMA 2372
C12H22O2
198.3019
198.161979948
5,5-dibutyloxolan-2-one
5,5-dibutyloxolan-2-one
7774-47-2
CCCCC1(CCCC)CCC(=O)O1
InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3
KZEKELDMLDBVFV-UHFFFAOYSA-N
logp
4.05
logs
-3.88
solubility
2.59e-02 g/l
logp
3.67
pka_strongest_basic
-7.1
iupac
5,5-dibutyloxolan-2-one
average_mass
198.3019
mono_mass
198.161979948
smiles
CCCCC1(CCCC)CCC(=O)O1
formula
C12H22O2
inchi
InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3
inchikey
KZEKELDMLDBVFV-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
56.82
polarizability
24.03
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7162
Specdb::MsIr
7163
Specdb::CMs
12328
Specdb::CMs
151048
Specdb::MsMs
54777
Specdb::MsMs
54778
Specdb::MsMs
54779
Specdb::MsMs
175380
Specdb::MsMs
175381
Specdb::MsMs
175382
Specdb::MsMs
2710310
Specdb::MsMs
2710311
Specdb::MsMs
2710312
Specdb::MsMs
2994722
Specdb::MsMs
2994723
Specdb::MsMs
2994724
HMDB36182
#<Reference:0x0000555673fe56e0>
butter
coconut
oily