1.0
2010-04-08 22:10:14 UTC
2019-11-26 03:07:04 UTC
FDB012559
Furfuryl acetate
Furfuryl acetate is a flavouring ingredient. It is found in wheat bread, crisp bread, roasted onion, pork liver, beer, rum, cocoa, coffee, roasted filbert, roasted peanut, roasted almond, shoyu, sukiyake, liquorice and Bourbon vanilla.
2-Acetoxymethylfuran
2-Furanmethanol acetate
2-Furanmethanol, 2-acetate
2-Furanmethanol, acetate
2-Furanmethyl acetate
2-Furfuryl acetate
2-Furfuryl-acetate
2-Furylcarbinyl acetate
2-Furylmethyl acetate
Acetic acid furfuryl ester
Acetic acid furfurylester
FEMA 2490
Furfuryl acetate
Furfuryl alcohol, acetate
Furfuryl-ethanoate
C7H8O3
140.1366
140.047344122
furan-2-ylmethyl acetate
2-furanmethanol, acetate
623-17-6
CC(=O)OCC1=CC=CO1
InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
CKOYRRWBOKMNRG-UHFFFAOYSA-N
belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
Heteroaromatic compounds
Organic compounds
Organoheterocyclic compounds
Heteroaromatic compounds
Aromatic heteromonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Furans
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Oxacyclic compounds
Aromatic heteromonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Furan
Heteroaromatic compound
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
logp
1.33
logs
-0.98
solubility
1.47e+01 g/l
logp
0.71
pka_strongest_basic
-3.4
iupac
furan-2-ylmethyl acetate
average_mass
140.1366
mono_mass
140.047344122
smiles
CC(=O)OCC1=CC=CO1
formula
C7H8O3
inchi
InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
inchikey
CKOYRRWBOKMNRG-UHFFFAOYSA-N
polar_surface_area
39.44
refractivity
34.42
polarizability
13.79
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
24298
Specdb::CMs
27252
Specdb::CMs
28503
Specdb::CMs
28895
Specdb::CMs
28977
Specdb::CMs
101589
Specdb::CMs
101590
Specdb::CMs
101591
Specdb::CMs
101592
Specdb::CMs
159517
Specdb::MsIr
6518
Specdb::MsIr
6519
Specdb::NmrOneD
125258
Specdb::NmrOneD
125259
Specdb::NmrOneD
125260
Specdb::NmrOneD
125261
Specdb::NmrOneD
125262
Specdb::NmrOneD
125263
Specdb::NmrOneD
125264
Specdb::NmrOneD
125265
Specdb::NmrOneD
125266
Specdb::NmrOneD
125267
Specdb::NmrOneD
125268
Specdb::NmrOneD
125269
Specdb::NmrOneD
125270
Specdb::NmrOneD
125271
Specdb::NmrOneD
125272
Specdb::NmrOneD
125273
Specdb::NmrOneD
125274
Specdb::NmrOneD
125275
Specdb::NmrOneD
125276
Specdb::NmrOneD
125277
Specdb::MsMs
105162
Specdb::MsMs
105163
Specdb::MsMs
105164
Specdb::MsMs
171606
Specdb::MsMs
171607
Specdb::MsMs
171608
Specdb::MsMs
2432068
Specdb::MsMs
2432069
Specdb::MsMs
2432070
Specdb::MsMs
2503616
Specdb::MsMs
2503617
Specdb::MsMs
2503618
HMDB34246
#<Reference:0x0000555675f40e18>
Alcoholic beverages
Unknown
generic
Arabica coffee
Type 1
specific
Coffea arabica
13443
Breakfast cereal
Type 2
specific
Cereals and cereal products
Unknown
generic
Cocoa and cocoa products
Unknown
generic
Cocoa bean
Type 1
specific
Theobroma cacao
3641
Coffee and coffee products
Unknown
generic
Garden onion
Type 1
specific
Allium cepa
4679
Garden onion (var.)
Type 1
specific
Allium cepa var. cepa
4679
Green onion
Type 1
Nuts
Unknown
generic
Onion-family vegetables
Unknown
generic
Red onion
Type 1
Robusta coffee
Type 1
specific
Coffea canephora
49390
Root vegetables
Unknown
generic
Welsh onion
Type 1
specific
Allium fistulosum
35875
banana
fruity
horseradish
sweet