Basic information
- CAS
30388-01-3- Standard SMILES
CC(O)CSS(C)(=O)=O- InChIKey
CYRYBYQBGSMZMK-UHFFFAOYSA-N- Molecular formula
- C4H10O3S2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.00713652
Names & identifiers
- Preferred name
- 2-Hydroxypropyl methanethiosulfonate
- IUPAC
- 1-methylsulfonylsulfanylpropan-2-ol
- English name
- 2-hydroxypropyl methanethiosulphonate
- Molecular formula
- C4H10O3S2
- Molecular weight
- 170.25
Names & synonyms
2-Hydroxypropyl methanethiosulfonate30388-01-3S-Methyl O-propylthiosulfateCaswell No. 495AThiosulfuric acid, S-methyl O-propyl esterS-(2-Hydroxypropyl)thiomethanesulfonateHPTMSS-(2-Hydroxypropyl)-thiomethanesulfonateZ7862L89XL2-Hydroxypropyl Methanethiol SulfonateMethanesulfonothioic acid, S-(2-hydroxypropyl) esterDTXSID0034720
Show more names
HYDROXYPROPYLMETHANETHIOSULFONATEHYDROXYPROPYLMETHANETHIOSULPHONATE2-hydroxypropyl methanethiosulphonateS-(2-hydroxypropyl) thiomethanesulfonateMethanesulfonothioic acid S-(2-hydroxypropyl) ester
EINECS 250-170-7Methanesulfonic acid, thio-, S-(2-hydroxypropyl) esterRefChem:473500DTXCID80147202Hydroxypropyl methanethiosulphonateS(2Hydroxypropyl)thiomethanesulfonateMethanesulfonothioic acid, S(2hydroxypropyl) esterBUSAN 74
Database identifiers
- CAS
30388-01-3- PubChem CID
- 62849
- DTXSID
DTXSID0034720- UNII
- Z7862L89XL
- EC Number
- 250-170-7
- Nikkaji
- J249.978I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLight to bright yellow liquid with a pungent sour odor; [Reference #1]
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- 2 · 2-HYDROXYPROPYL METHANETHIOL SULFONATE
- FDA 21 CFR
- 176.18 · 176.180; 176.300
- FDA UNII
- 7862 L89XL · Z7862L89XL
- EPA Substance Registry System
- 2 · 2-Hydroxypropyl methanethiosulfonate (30388-01-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Methanesulfonothioic acid, S-(2-hydroxypropyl) ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards Summary
Corrosive to skin and eyes; Caused skin sensitization in guinea pigs; Anemia in 91-day dermal study of rats at 250 mg/kg/day (79.67% active ingredient); Maternal (salivation and respiratory congestion) and developmental (reduced fetal weight) LOAEL are both 30 mg/kg/day in rats; [Reference #1]
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Chemistry & industry
Uses & manufacturing
Uses
Used to control algae, bacteria, and fungi in industrial cooling, processing, and pulp and paper mill water systems; Also used as preservative in coatings, emulsions, paints, wet-end additives, and processing chemicals; [Reference #1]
Pulp and Paper Processing [Category: Industry]
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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