p-Tolyl Sulfate Potassium Salt - CAS 91978-69-7
Catalog: |
BB057388 |
Product Name: |
p-Tolyl Sulfate Potassium Salt |
CAS: |
91978-69-7 |
Synonyms: |
Mono(4-methylphenyl) Ester Sulfuric Acid Potassium Salt; p-Methylphenyl Potassium Sulfate; p-Cresol Sulfate Potassium Salt |
IUPAC Name: | potassium(4-methylphenyl) sulfate |
Description: | p-Tolyl Sulfate is the major component of urinary myelin basic protein-like material and is derived through the secondary metabolism of p-cresol (C781900). |
Molecular Weight: | 226.29 |
Molecular Formula: | C7H7KO4S |
Canonical SMILES: | CC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+] |
InChI: | InChI=1S/C7H8O4S.K/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)/q+1/p-1 |
InChI Key: | HTSFIPMTBJHYFQ-UHFFFAOYSA-M |
Melting Point: | 189-193°C |
Solubility: | DMSO (Slightly), Water (Slightly) |
Appearance: | White to Pale Yelllow Solid |
Storage: | 4°C, Hygroscopic |
References: | Cuoghi, A., et al. Anal. Bioanal. Chem., 404, 2097 (2012); Wu, I.W., et al. Nehphrol. Dial. Transplan., 27, 1169 (2012). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021158720-A1 | Disease detection and treatment based on phenylacetyl glutamine levels | 20200205 |
JP-2021117028-A | QCM sensor chip | 20200123 |
US-2021387110-A1 | Metal-organic frameworks for the removal of uremic toxins | 20181023 |
WO-2017213268-A1 | Insulin secretion promoter or insulin sensitizer | 20160610 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.97021136 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.97021136 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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