1.0
2010-04-08 22:04:44 UTC
2015-07-20 21:34:54 UTC
FDB000834
2',6'-Dihydroxyacetophenone
Potential component of FEMA 3662. Flavouring ingredient
«gamma»-resacetophenone
1-(2,6-Dihydroxyphenyl)-ethanone
1-(2,6-Dihydroxyphenyl)ethanone
1-(2,6-Dihydroxyphenyl)ethanone, 9CI
1,3-Benzenediol, 2-acetyl-
2-Acetyl-1,3-benzenediol
2-Acetyl-1,3-dihydroxybenzene
2-Acetyl-resorcinol
2-Acetylresorcinol
2, 6-Dihydroxyacetophenone
2,6-Dihydroxyacetophenone
2',6'-Dihydroxy-acetophenone
Acetophenone, 2',6'-dihydroxy-
Acetophenone, 2',6'-dihydroxy- (8CI)
Acetyl-2,6-dihydroxybenzene
Ethanone, 1-(2,6-dihydroxyphenyl)-
Ethanone, 1-(2,6-dihydroxyphenyl)- (9CI)
Gamma-resacetophenone
Laquo gammaraquo -resacetophenone
Resorcinol, 2-acetyl-
C8H8O3
152.1473
152.047344122
1-(2,6-dihydroxyphenyl)ethan-1-one
1-(2,6-dihydroxyphenyl)ethanone
699-83-2
CC(=O)C1=C(O)C=CC=C1O
InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
YPTJKHVBDCRKNF-UHFFFAOYSA-N
belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Alkyl-phenylketones
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Acetophenones
Aryl alkyl ketones
Benzoyl derivatives
Hydrocarbon derivatives
Organic oxides
Resorcinols
Vinylogous acids
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Acetophenone
Alkyl-phenylketone
Aromatic homomonocyclic compound
Aryl alkyl ketone
Benzenoid
Benzoyl
Hydrocarbon derivative
Monocyclic benzene moiety
Organic oxide
Phenol
Resorcinol
Vinylogous acid
logp
1.26
logs
-1.24
solubility
8.84e+00 g/l
melting_point
Mp 155-156°
logp
2.22
pka_strongest_acidic
9.98
pka_strongest_basic
-3.9
iupac
1-(2,6-dihydroxyphenyl)ethan-1-one
average_mass
152.1473
mono_mass
152.047344122
smiles
CC(=O)C1=C(O)C=CC=C1O
formula
C8H8O3
inchi
InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
inchikey
YPTJKHVBDCRKNF-UHFFFAOYSA-N
polar_surface_area
57.53
refractivity
40.42
polarizability
14.72
rotatable_bond_count
1
acceptor_count
3
donor_count
2
physiological_charge
0
formal_charge
0
Specdb::MsIr
3555
Specdb::MsIr
3556
Specdb::MsIr
3557
Specdb::NmrOneD
158910
Specdb::NmrOneD
158911
Specdb::NmrOneD
158912
Specdb::NmrOneD
158913
Specdb::NmrOneD
158914
Specdb::NmrOneD
158915
Specdb::NmrOneD
158916
Specdb::NmrOneD
158917
Specdb::NmrOneD
158918
Specdb::NmrOneD
158919
Specdb::NmrOneD
158920
Specdb::NmrOneD
158921
Specdb::NmrOneD
158922
Specdb::NmrOneD
158923
Specdb::NmrOneD
158924
Specdb::NmrOneD
158925
Specdb::NmrOneD
158926
Specdb::NmrOneD
158927
Specdb::NmrOneD
158928
Specdb::NmrOneD
158929
Specdb::CMs
12418
Specdb::CMs
29748
Specdb::CMs
41501
Specdb::CMs
100387
Specdb::CMs
157191
Specdb::MsMs
78597
Specdb::MsMs
78598
Specdb::MsMs
78599
Specdb::MsMs
138990
Specdb::MsMs
138991
Specdb::MsMs
138992
Specdb::MsMs
285805
Specdb::MsMs
285806
Specdb::MsMs
285807
Specdb::MsMs
285808
Specdb::MsMs
373679
Specdb::MsMs
373680
Specdb::MsMs
373681
Specdb::MsMs
373682
Specdb::MsMs
440218
Specdb::MsMs
440219
Specdb::MsMs
440220
Specdb::MsMs
2256947
Specdb::MsMs
2257661
Specdb::MsMs
2258951
Specdb::MsMs
2720490
Specdb::MsMs
2720491
Specdb::MsMs
2720492
Specdb::MsMs
2958021
Specdb::MsMs
2958022
HMDB29660
#<Reference:0x0000555675df7570>