1.0
2011-09-26 22:54:21 UTC
2015-07-21 07:00:17 UTC
FDB029686
ethyl-4-hydroxymethyl- 3(2H)-Furanone
Flavouring compound [Flavornet]
C7H10O3
142.154
142.062994182
2-ethyl-4-(hydroxymethyl)-2,3-dihydrofuran-3-one
2-ethyl-4-(hydroxymethyl)-2H-furan-3-one
110516-60-4
CCC1OC=C(CO)C1=O
InChI=1S/C7H10O3/c1-2-6-7(9)5(3-8)4-10-6/h4,6,8H,2-3H2,1H3
KXYCNEIORCQEFU-UHFFFAOYSA-N
belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group.
Furanones
Organic compounds
Organoheterocyclic compounds
Dihydrofurans
Furanones
Aliphatic heteromonocyclic compounds
Cyclic ketones
Hydrocarbon derivatives
Organic oxides
Oxacyclic compounds
Primary alcohols
Vinylogous esters
3-furanone
Alcohol
Aliphatic heteromonocyclic compound
Carbonyl group
Cyclic ketone
Hydrocarbon derivative
Ketone
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
Primary alcohol
Vinylogous ester
logp
-0.15
logs
-0.01
solubility
1.40e+02 g/l
logp
0.29
pka_strongest_acidic
9.64
pka_strongest_basic
-2.9
iupac
2-ethyl-4-(hydroxymethyl)-2,3-dihydrofuran-3-one
average_mass
142.154
mono_mass
142.062994182
smiles
CCC1OC=C(CO)C1=O
formula
C7H10O3
inchi
InChI=1S/C7H10O3/c1-2-6-7(9)5(3-8)4-10-6/h4,6,8H,2-3H2,1H3
inchikey
KXYCNEIORCQEFU-UHFFFAOYSA-N
polar_surface_area
46.53
refractivity
36.16
polarizability
14.44
rotatable_bond_count
2
acceptor_count
3
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::MsMs
1358857
Specdb::MsMs
1358858
Specdb::MsMs
1358859
Specdb::MsMs
3607171
Specdb::MsMs
3607172
Specdb::MsMs
3607173
Specdb::MsMs
1243489
Specdb::MsMs
1243490
Specdb::MsMs
1243491
Specdb::MsMs
3607168
Specdb::MsMs
3607169
Specdb::MsMs
3607170
caramel