1.0
2010-04-08 22:04:44 UTC
2020-02-24 19:10:15 UTC
FDB000842
2,4-Dihydroxybenzoic acid
Found in avocado, beer, wine and coffee. Food flavour ingredient and flavour modifier
β-Resorcinolic acid
β-Resorcylic acid
2,4-DHBA
2,4-Dihydroxy-benzoic acid
4-Carboxyresorcinol
4-Dihydroxy-benzoate
4-Dihydroxybenzoate
4-Hydroxysalicylic acid
b-Resorcylate
b-Resorcylic acid
b-Resorcylic acid, 8CI
Benzoic acid, 2,4-dihydroxy-
beta-Resorcinolic acid
beta-Resorcylate
beta-Resorcylic acid
FEMA 3798
p-Hydroxysalicylic acid
Resorcinol-4-carboxylic acid
Resorcylic acid, β
Resorcylic acid, beta
β-resorcylate
β-resorcylic acid
C7H6O4
154.121
154.026608673
2,4-dihydroxybenzoic acid
2,4-dihydroxybenzoic acid
89-86-1
OC(=O)C1=C(O)C=C(O)C=C1
InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
UIAFKZKHHVMJGS-UHFFFAOYSA-N
Solid
logp
1.23
logs
-1.10
solubility
1.24e+01 g/l
melting_point
Mp 218-219° (213° rapid heat)
logp
1.67
pka_strongest_acidic
3.1
pka_strongest_basic
-5.8
iupac
2,4-dihydroxybenzoic acid
average_mass
154.121
mono_mass
154.026608673
smiles
OC(=O)C1=C(O)C=C(O)C=C1
formula
C7H6O4
inchi
InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
inchikey
UIAFKZKHHVMJGS-UHFFFAOYSA-N
polar_surface_area
77.76
refractivity
37.28
polarizability
13.8
rotatable_bond_count
1
acceptor_count
4
donor_count
3
physiological_charge
-1
formal_charge
0
Specdb::MsIr
3569
Specdb::MsIr
3570
Specdb::MsIr
3571
Specdb::NmrOneD
158970
Specdb::NmrOneD
158971
Specdb::NmrOneD
158972
Specdb::NmrOneD
158973
Specdb::NmrOneD
158974
Specdb::NmrOneD
158975
Specdb::NmrOneD
158976
Specdb::NmrOneD
158977
Specdb::NmrOneD
158978
Specdb::NmrOneD
158979
Specdb::NmrOneD
158980
Specdb::NmrOneD
158981
Specdb::NmrOneD
158982
Specdb::NmrOneD
158983
Specdb::NmrOneD
158984
Specdb::NmrOneD
158985
Specdb::NmrOneD
158986
Specdb::NmrOneD
158987
Specdb::NmrOneD
158988
Specdb::NmrOneD
158989
Specdb::CMs
5791
Specdb::CMs
28708
Specdb::CMs
41506
Specdb::CMs
100394
Specdb::CMs
131615
Specdb::CMs
139349
Specdb::MsMs
240595
Specdb::MsMs
240596
Specdb::MsMs
240597
Specdb::MsMs
242650
Specdb::MsMs
242651
Specdb::MsMs
242652
Specdb::MsMs
2449006
Specdb::MsMs
2449007
Specdb::MsMs
2449008
Specdb::MsMs
2486784
Specdb::MsMs
2486785
Specdb::MsMs
2486786
HMDB29666
DOB
#<Reference:0x00005556746f8ec8>
Alcoholic beverages
Unknown
generic
American cranberry
Type 1
specific
Vaccinium macrocarpon
13750
2.5285
4.25
0.806999981
mg/100 g
Arabica coffee
Type 1
specific
Coffea arabica
13443
Coffee and coffee products
Unknown
generic
Fruits
Unknown
generic
German camomile
Type 1
specific
Matricaria recutita
127986
Olive
Type 1
specific
Olea europaea
4146
0.109408
0.213999997
0.00481575
mg/100 g
Robusta coffee
Type 1
specific
Coffea canephora
49390
mild
phenolic