Isopropyl methanesulfonate - CAS 926-06-7
Catalog: |
BB040568 |
Product Name: |
Isopropyl methanesulfonate |
CAS: |
926-06-7 |
Synonyms: |
2-Propyl Methanesulfonate; Isopropyl Mesylate; Methanesulfonic Acid, 1-Methylethyl Ester; Methanesulfonic Acid, Isopropyl Ester |
IUPAC Name: | propan-2-yl methanesulfonate |
Description: | Isopropyl Methanesulfonate (CAS# 926-06-7) is used in studies to evaluate the carcinogenicity effect in the skin and thymus from methyl methanesulfonate. |
Molecular Weight: | 138.19 |
Molecular Formula: | C4H10O3S |
Canonical SMILES: | CC(C)OS(=O)(=O)C |
InChI: | InChI=1S/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3 |
InChI Key: | SWWHCQCMVCPLEQ-UHFFFAOYSA-N |
Boiling Point: | 220.0±9.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Soluble in Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Colorless Oil |
Storage: | Store at 2-8°C |
MDL: | MFCD00047802 |
LogP: | 1.45180 |
Vapor Pressure: | 0.43 [mmHg] |
GHS Hazard Statement: | H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P260, P264, P270, P280, P281, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112946136-A | Method for determining content of mesylate in ozesamicin | 20210207 |
CN-112851506-A | Industrial preparation method of 3, 5-dimethoxy, 4-alkyl benzyl alcohol | 20201231 |
CN-112505188-A | GC/FID (gas chromatography/flame ionization Detector) determination method for contents of methanesulfonic acid alkyl ester and methanesulfonyl chloride in methanesulfonic acid | 20201216 |
CN-112684066-A | Method for detecting mesylate genotoxic impurities in varlitinib mesylate by gas chromatography | 20201211 |
CN-111707747-A | Method for detecting mesylate genotoxic impurities in gemcitabine hydrochloride by GC-MS/MS (gas chromatography-Mass spectrometer/Mass spectrometer) method | 20200619 |
PMID | Publication Date | Title | Journal |
27931811 | 20161115 | The PIGRET assay, a method for measuring Pig-a gene mutation in reticulocytes, is reliable as a short-term in vivo genotoxicity test: Summary of the MMS/JEMS-collaborative study across 16 laboratories using 24 chemicals | Mutation research. Genetic toxicology and environmental mutagenesis |
22115865 | 20120123 | Simultaneous determination of alkyl mesilates and alkyl besilates in finished drug products by direct injection GC/MS | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
21980221 | 20110901 | Unveiling the roles of the glutathione redox system in vivo by analyzing genetically modified mice | Journal of clinical biochemistry and nutrition |
21760706 | 20110101 | Low level determinations of methyl methanesulfonate and ethyl methanesulfonate impurities in emtricitabine active pharmaceutical ingredient by LC/MS/MS using electrospray ionization | Analytical chemistry insights |
22131634 | 20110101 | Determination of Alkyl Methanesulfonates in Doxazosin Mesylate by Gas Chromatography-mass Spectrometer | Indian journal of pharmaceutical sciences |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.03506535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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