1.0
2010-04-08 22:10:57 UTC
2019-11-26 03:09:12 UTC
FDB013878
2-Acetyl-5-methylfuran
Isolated from raisins, roasted onion, French fried potato, tomato, smoked fatty fish, cooked beef, fried cured pork, beer, spirits, black tea, wild rice, squid and coffee aroma. Organoleptic and flavouring agent. 2-Acetyl-5-methylfuran is found in many foods, some of which are tea, potato, alcoholic beverages, and cereals and cereal products.
1-(5-Methyl-2-furanyl)-ethanone
1-(5-Methyl-2-furanyl)ethanone
1-(5-Methyl-2-furanyl)ethanone, 9CI
1-(5-Methyl-2-furyl)ethan-1-one
1-(5-Methyl-2-furyl)ethanone
1-(5-methylfuran-2-yl)ethanone
2-Acetyl-5-methyl-furan
2-Acetyl, 5-mefuran
2-Methyl-5-acetylfuran
5-Acetyl-2-methylfuran
5-Methyl-2-acetylfuran
5-Methyl-2-furylmethylketone
Ethanone, 1-(5-methyl-2-furanyl)-
FEMA 3069
Furan, 2-acetyl-5-methyl-
Ketone, methyl 5-methyl-2-furyl
Methyl (5-methyl-2-furyl) ketone, 8CI
Methyl 5-methyl-2-furyl ketone
C7H8O2
124.1372
124.0524295
1-(5-methylfuran-2-yl)ethan-1-one
2-acetyl-5-methylfuran
1193-79-9
CC(=O)C1=CC=C(C)O1
InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
KEFJLCGVTHRGAH-UHFFFAOYSA-N
belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
Aryl alkyl ketones
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aromatic heteromonocyclic compounds
Furans
Heteroaromatic compounds
Hydrocarbon derivatives
Organic oxides
Oxacyclic compounds
Aromatic heteromonocyclic compound
Aryl alkyl ketone
Furan
Heteroaromatic compound
Hydrocarbon derivative
Organic oxide
Organoheterocyclic compound
Oxacycle
aromatic ketone
furans
methyl ketone
logp
0.94
logs
-1.06
solubility
1.07e+01 g/l
logp
0.79
pka_strongest_acidic
14.62
pka_strongest_basic
-3
iupac
1-(5-methylfuran-2-yl)ethan-1-one
average_mass
124.1372
mono_mass
124.0524295
smiles
CC(=O)C1=CC=C(C)O1
formula
C7H8O2
inchi
InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
inchikey
KEFJLCGVTHRGAH-UHFFFAOYSA-N
polar_surface_area
30.21
refractivity
34
polarizability
13.15
rotatable_bond_count
1
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::EiMs
1946
Specdb::MsIr
6857
Specdb::MsIr
6858
Specdb::CMs
2670
Specdb::CMs
149743
Specdb::MsMs
9464
Specdb::MsMs
9465
Specdb::MsMs
9466
Specdb::MsMs
16136
Specdb::MsMs
16137
Specdb::MsMs
16138
Specdb::MsMs
2709914
Specdb::MsMs
2709915
Specdb::MsMs
2709916
Specdb::MsMs
2996282
Specdb::MsMs
2996283
Specdb::MsMs
2996284
Specdb::NmrOneD
130578
Specdb::NmrOneD
130579
Specdb::NmrOneD
130580
Specdb::NmrOneD
130581
Specdb::NmrOneD
130582
Specdb::NmrOneD
130583
Specdb::NmrOneD
130584
Specdb::NmrOneD
130585
Specdb::NmrOneD
130586
Specdb::NmrOneD
130587
Specdb::NmrOneD
130588
Specdb::NmrOneD
130589
Specdb::NmrOneD
130590
Specdb::NmrOneD
130591
Specdb::NmrOneD
130592
Specdb::NmrOneD
130593
Specdb::NmrOneD
130594
Specdb::NmrOneD
130595
Specdb::NmrOneD
130596
Specdb::NmrOneD
130597
HMDB35226
#<Reference:0x00005556756116f8>
Alcoholic beverages
Unknown
generic
Arabica coffee
Type 1
specific
Coffea arabica
13443
Black tea
Type 1
Breakfast cereal
Type 2
specific
Cereals and cereal products
Unknown
generic
Coffee and coffee products
Unknown
generic
Fishes
Unknown
generic
Fruits
Unknown
generic
Garden onion
Type 1
specific
Allium cepa
4679
Garden onion (var.)
Type 1
specific
Allium cepa var. cepa
4679
Garden tomato
Type 1
specific
Solanum lycopersicum
4081
Green onion
Type 1
Green tea
Type 1
Herbal tea
Type 1
Onion-family vegetables
Unknown
generic
Potato
Type 1
specific
Solanum tuberosum
4113
Red onion
Type 1
Red tea
Type 1
Robusta coffee
Type 1
specific
Coffea canephora
49390
Tea
Type 1
specific
Camellia sinensis
4442
Welsh onion
Type 1
specific
Allium fistulosum
35875
coconut
coumarin
hay
milky
musty
nutty
strong