Results for:
PubChem ID: 4765

4-hydroxybenzenesulfonic Acid

Compound Details

Synonymous names
4-Hydroxybenzenesulfonic acid
98-67-9
p-Phenolsulfonic acid
phenolsulfonic acid
4-Phenolsulfonic acid
Sulfocarbolic acid
p-Sulfophenol
p-Hydroxybenzenesulfonic acid
Benzenesulfonic acid, 4-hydroxy-
4-HYDROXYPHENYLSULFONIC ACID
Phenol-4-sulfonic acid
Benzenesulfonic acid, p-hydroxy-
4-Sulfophenol
4-Hydroxybenzenesulphonic acid
Hydroxybenzene-4-sulfonic acid
p-Phenolsulfonate
NSC 227908
4-hydroxybenzene-1-sulfonic acid
para-phenolsulfonic acid
4-Hydroxybenzenesulfonic acid, 65% in Water
NSC-227908
L74LRO149A
DTXSID1046421
CHEBI:32354
Phenolsulfonic acid (JAN)
DTXCID9026421
PHENOLSULFONIC ACID [JAN]
CAS-98-67-9
HSDB 5319
NCGC00164534-01
NCGC00164534-02
EINECS 202-691-6
BRN 1869034
UNII-L74LRO149A
4-phenolsulfonic-acid
p-phenol sulfonic acid
4hydroxybenzenesulfonic acid
EC 202-691-6
p-Hydroxyphenylsulfonic acid
SCHEMBL18275
p-hydroxybenzenesulphonic acid
4-11-00-00582 (Beilstein Handbook Reference)
Phenol-4-sulfonic Acid Hydrate
CHEMBL1398657
P-PHENOLSULFONIC ACID [MI]
Tox21_112165
MFCD00007506
NSC227908
P-PHENOLSULFONIC ACID [HSDB]
STL280368
AKOS009159072
Tox21_112165_1
CS-W017509
DB14739
MCULE-9642506548
P-PHENOLSULFONIC ACID [WHO-DD]
PARA-PHENOLSULFONIC ACID [VANDF]
AM804627
AS-39421
BP-31158
4-Hydroxybenzenesulfonic Acid (85per cent)
NS00006802
P0104
EN300-36331
D01403
4-Hydroxybenzenesulfonic acid;p-Phenolsulfonic acid
Q1534677
W-100070
Microorganism:

No

IUPAC name4-hydroxybenzenesulfonic acid
SMILESC1=CC(=CC=C1O)S(=O)(=O)O
InchiInChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
FormulaC6H6O4S
PubChem ID4765
Molweight174.18
LogP0.2
Atoms11
Bonds1
H-bond Acceptor4
H-bond Donor2
Chemical Classificationaromatic compounds acids phenols sulfonyls benzenoids sulfur compounds
CHEBI-ID32354
Supernatural-IDSN0083605

mVOC Specific Details

Volatilization
The Henry's Law constant for 4-hydroxyphenylsulfonic acid is estimated as 2.62X10-13 atm-cu/mole(1,SRC). This indicates that 4-hydroxyphenylsulfonic acid will essentially not volatilize from water surfaces(2).
Literature: (1) Meylan W, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington, DC: Amer Chem Soc p. 15-15 to 15-29 (1990)
Solubility
MISCIBLE WITH WATER, ALCOHOL
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 1151
Soil Adsorption
Based on an estimated log Kow of -1.65(1), the Koc of 4-hydroxyphenylsulfonic acid is estimated as approximately 3.0 using a regression-derived equation(2,SRC). According to a suggested classification scheme, this estimated Koc value suggests that 4-hydroxyphenylsulfonic acid has very high mobility in soil(3).
Literature: (1) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Piedmont)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no