Basic information
- CAS
26590-31-8- Standard SMILES
Cc1ccccc1OS(=O)(=O)O- InChIKey
CYGSXDXRHXMAOV-UHFFFAOYSA-N- Molecular formula
- C7H8O4S
- Average molar mass
- 188.2 g/mol
- Monoisotopic mass
- 188.01432991
Overview
O-cresol hydrogen sulfate is an aryl sulfate that is o-cresol in which the phenolic hydrogen has been replaced by a sulfo group. It is functionally related to an o-cresol. It is a conjugate acid of an o-cresol sulfate.
Names & identifiers
- Preferred name
- o-Cresol sulfate
- IUPAC
- (2-methylphenyl) hydrogen sulfate
- English name
- Cresolsulfuric acid
- Molecular formula
- C7H8O4S
- Molecular weight
- 188.20102
Names & synonyms
o-cresol sulfate3233-56-52-Methylphenyl hydrogen sulfateSulfuric acid, mono(2-methylphenyl) esterUNII-3X87HHK9AG3X87HHK9AGo-cresolsulfuric acido-cresol hydrogen sulfateCHEBI:133089CHEBI:133090RefChem:167169o-Tolyl sulfate
Show more names
Cresolsulfuric acid
(2-Methylphenyl) sulfateO-Methylphenyl sulfate26590-31-8Benzenesulfonic acid, hydroxymethyl-Sulfuric acid, mono-o-tolyl ester(2-methylphenyl) hydrogen sulfateCresolsulphonic acidUNII-52Z7PTL2DV
Database identifiers
- CAS
26590-31-8、3233-56-5- PubChem CID
- 11615528
- ChEBI
CHEBI:133089- UNII
- 3X87HHK9AG
- EC Number
- 247-831-7
- Nikkaji
- J2.806.402K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Density
- 1.4 g/mL · 1.4 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.548
- FDA UNII
- 52 Z7PTL2DV · 52Z7PTL2DV
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS05
- Signal word
- Danger
- Hazard statements
- 373 · H373-H314-H312-H302-H335-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P260-P314-P501-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- T
- Risk Statements
- 24 · 24/25-34
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 2 · 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, hydroxymethyl-
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 3265 8/PG 2
- risk_code
- 24/25-34
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS05
- hazard_code
- T
- safety_code
- 23-26-36/37/39-45
- Hazard statements
- H373-H314-H312-H302-H335-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P260-P314-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers24 total
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海容棠高分子材料有限公司18701991744 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
佛山晟熠生物科技有限公司18064670521 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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