1.0
2010-04-08 22:09:21 UTC
2019-11-26 03:04:16 UTC
FDB010904
Ethyl 2-furanpropionate
Present in rum. Flavouring ingredient. Ethyl 2-furanpropionate is found in alcoholic beverages.
2-Furanpropanoic acid, ethyl ester
2-Furanpropionic acid, ethyl ester
2-Furanpropionic acid, ethyl ester (8ci)
Ethyl 2-furanpropanoate
Ethyl 2-furanpropionate
Ethyl 3-(2-furyl)propanoate
Ethyl 3-(2-furyl)propionate
Ethyl 3-(alpha-furyl)propionate
ETHYL 3(2-furyl)propanoATE
Ethyl alpha-furyl)propionate
Ethyl beta-furylpropionate
Ethyl furan-2-propionate
Ethyl furfhydracrylate
Ethyl furfurylacetate
Ethyl furfurylhydracrylate
FEMA 2435
C9H12O3
168.1898
168.07864425
ethyl 3-(furan-2-yl)propanoate
ethyl 3-(furan-2-yl)propanoate
10031-90-0
CCOC(=O)CCC1=CC=CO1
InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
OWIWZQQFSTZZIG-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
Aromatic heteromonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Furans
Heteroaromatic compounds
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Oxacyclic compounds
Aromatic heteromonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Furan
Heteroaromatic compound
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organoheterocyclic compound
Organooxygen compound
Oxacycle
Liquid
logp
2.26
logs
-1.90
solubility
2.11e+00 g/l
melting_point
Mp 24.5°
logp
1.46
pka_strongest_basic
-3.2
iupac
ethyl 3-(furan-2-yl)propanoate
average_mass
168.1898
mono_mass
168.07864425
smiles
CCOC(=O)CCC1=CC=CO1
formula
C9H12O3
inchi
InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
inchikey
OWIWZQQFSTZZIG-UHFFFAOYSA-N
polar_surface_area
39.44
refractivity
44.03
polarizability
18.1
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
21997
Specdb::CMs
158213
Specdb::MsIr
5792
Specdb::MsIr
5793
Specdb::NmrOneD
116658
Specdb::NmrOneD
116659
Specdb::NmrOneD
116660
Specdb::NmrOneD
116661
Specdb::NmrOneD
116662
Specdb::NmrOneD
116663
Specdb::NmrOneD
116664
Specdb::NmrOneD
116665
Specdb::NmrOneD
116666
Specdb::NmrOneD
116667
Specdb::NmrOneD
116668
Specdb::NmrOneD
116669
Specdb::NmrOneD
116670
Specdb::NmrOneD
116671
Specdb::NmrOneD
116672
Specdb::NmrOneD
116673
Specdb::NmrOneD
116674
Specdb::NmrOneD
116675
Specdb::NmrOneD
116676
Specdb::NmrOneD
116677
Specdb::MsMs
87366
Specdb::MsMs
87367
Specdb::MsMs
87368
Specdb::MsMs
149856
Specdb::MsMs
149857
Specdb::MsMs
149858
Specdb::MsMs
3040237
Specdb::MsMs
3040238
Specdb::MsMs
3040239
Specdb::MsMs
3102860
Specdb::MsMs
3102861
Specdb::MsMs
3102862
HMDB32921
#<Reference:0x0000555675a3dc18>
Alcoholic beverages
Unknown
generic
balsam
fruity
pineapple
sweet