1.0
2010-04-08 22:09:29 UTC
2019-11-26 03:04:36 UTC
FDB011129
4-(2-Furanyl)-3-buten-2-one
Present in rum and coffee. Flavouring agent. 4-(2-Furanyl)-3-buten-2-one is found in alcoholic beverages and coffee and coffee products.
(3E)-4-(2-Furyl)-3-buten-2-one
β-2-Furylideneacetone
1-(2-Furyl)but-2-en-3-one
2-(3-Oxobutenyl)furan
2-Furalacetone
2-Furfurylideneacetone
2-Furfurylideneacetone polymer
3-Buten-2-one, 4-(2-furanyl)-
3-Buten-2-one, 4-(2-furanyl)-, homopolymer
3-Buten-2-one, 4-(2-furanyl)-, polymers
3-Buten-2-one, 4-(2-furyl)-
3-Buten-2-one, 4-(2-furyl)- (6CI,8CI)
3-Buten-2-one, 4-(2-furyl)-, polymers
3-Buten-2-one, 4-(2-furyl)-, polymers (8CI)
3-Butene-2-one, 4-(2-furanyl)-
4-(2-Furanyl)-3-butene-2-one
4-(2-Furyl)-3-buten-2-one
4-(2-Furyl)but-3-en-2-one
beta -2-Furylideneacetone
Fam (monomer)
Fam polymer
FEMA 2495
Furfural acetone
Furfuralacetone
Furfuralacetone polymer
Furfuryl acetone
Furfurylidene acetone polymer
Furfurylideneacetone
Furfurylideneacetone resin
Monofurfurylideneacetone
Monomer fam
Oramin r
Oramin special GR
Poly(monofurfurylideneacetone)
Polyfurfurylidineacetone
Trans-furfurylideneacetone
C8H8O2
136.1479
136.0524295
(3Z)-4-(furan-2-yl)but-3-en-2-one
(3Z)-4-(furan-2-yl)but-3-en-2-one
623-15-4
CC(=O)\C=C/C1=CC=CO1
InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4-
GBKGJMYPQZODMI-PLNGDYQASA-N
logp
1.42
logs
-1.82
solubility
2.07e+00 g/l
melting_point
39.5 oC
logp
1.53
pka_strongest_acidic
19.61
pka_strongest_basic
-3.1
iupac
(3Z)-4-(furan-2-yl)but-3-en-2-one
average_mass
136.1479
mono_mass
136.0524295
smiles
CC(=O)\C=C/C1=CC=CO1
formula
C8H8O2
inchi
InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4-
inchikey
GBKGJMYPQZODMI-PLNGDYQASA-N
polar_surface_area
30.21
refractivity
39
polarizability
14.17
rotatable_bond_count
2
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
5972
Specdb::MsIr
5973
Specdb::CMs
25161
Specdb::CMs
158468
Specdb::NmrOneD
118218
Specdb::NmrOneD
118219
Specdb::NmrOneD
118220
Specdb::NmrOneD
118221
Specdb::NmrOneD
118222
Specdb::NmrOneD
118223
Specdb::NmrOneD
118224
Specdb::NmrOneD
118225
Specdb::NmrOneD
118226
Specdb::NmrOneD
118227
Specdb::NmrOneD
118228
Specdb::NmrOneD
118229
Specdb::NmrOneD
118230
Specdb::NmrOneD
118231
Specdb::NmrOneD
118232
Specdb::NmrOneD
118233
Specdb::NmrOneD
118234
Specdb::NmrOneD
118235
Specdb::NmrOneD
118236
Specdb::NmrOneD
118237
Specdb::MsMs
321772
Specdb::MsMs
321773
Specdb::MsMs
321774
Specdb::MsMs
369487
Specdb::MsMs
369488
Specdb::MsMs
369489
Specdb::MsMs
2300778
Specdb::MsMs
2300779
Specdb::MsMs
2300780
Specdb::MsMs
3064733
Specdb::MsMs
3064734
Specdb::MsMs
3064735
HMDB33128
#<Reference:0x0000555675c94700>
Alcoholic beverages
Unknown
generic
Arabica coffee
Type 1
specific
Coffea arabica
13443
Coffee and coffee products
Unknown
generic
Robusta coffee
Type 1
specific
Coffea canephora
49390
balsam
cinnamon
spicy
sweet
vanilla
warm