Methyl 3-acetylsulfanyl-2-methylpropanoate
C7H12O3S
methyl 3-acetylsulfanyl-2-methylpropanoate
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Identification
- CAS Number
- 97101-46-7
- EC Number
- 411-040-7
- UN Number
- 3082
- Index Number
- 607-299-00-2
- PubChem CID
- 10910100
Physical-chemical properties
- Molecular Formula
- C7H12O3S
- Molar Mass
- 176.24 g/mol
- IUPAC Name
- methyl 3-acetylsulfanyl-2-methylpropanoate
Chemical Identifiers
- InChI
- InChI=1S/C7H12O3S/c1-5(7(9)10-3)4-11-6(2)8/h5H,4H2,1-3H3
- InChI Key
- ODXYWRPJDYJIPT-UHFFFAOYSA-N
Overview
Methyl 3-acetylsulfanyl-2-methylpropanoate (CAS 97101-46-7) is an organosulfur ester compound with acetyl and methyl functional groups that exhibits skin sensitizing and aquatic toxicity properties. This specialized chemical intermediate belongs to the family of sulfur-containing esters, characterized by its unique combination of an acetylsulfanyl group and a methylpropanoate backbone. With the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol, this compound demonstrates the structural complexity typical of modern synthetic intermediates used in various industrial applications. The compound is classified under multiple hazard categories, including Acute Toxicity Category 4, Skin Sensitization Category 1, and both Acute and Chronic Aquatic Toxicity Category 1, requiring careful handling protocols. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the "Warning" signal word reflects its moderate but significant risk profile. Transportation falls under ADR Class 9 for miscellaneous dangerous substances. Safety considerations are paramount when working with methyl 3-acetylsulfanyl-2-methylpropanoate, particularly regarding skin contact and environmental release. Unlike simpler compounds such as 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine, this ester requires specialized handling due to its sensitization potential. Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and as a building block for more complex organosulfur compounds. The compound's unique reactivity profile makes it valuable in multi-step synthetic processes where selective functionalization is required. OYSI provides methyl 3-acetylsulfanyl-2-methylpropanoate with comprehensive safety documentation and technical support to ensure proper handling and application in your industrial processes.
Safety & Classification
Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Methyl-3-(acetylthio)-2-methylpropanoat |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 3-acetylsulfanyl-2-methylpropanoate?
Methyl 3-acetylsulfanyl-2-methylpropanoate is an organic chemical compound with the molecular formula C7H12O3S and CAS number 97101-46-7. This sulfur-containing ester has a molecular weight of 176.24 g/mol and belongs to the class of acetylsulfanyl compounds. It is classified as a hazardous substance with acute toxicity, skin sensitization properties, and aquatic toxicity characteristics, requiring careful handling in industrial applications.
What are the physicochemical properties of methyl 3-acetylsulfanyl-2-methylpropanoate?
Methyl 3-acetylsulfanyl-2-methylpropanoate is a chemical compound with molecular formula C7H12O3S and molecular mass 176.24 g/mol. As an ester containing sulfur functionality, it typically exists as a liquid at room temperature. The presence of the acetylsulfanyl group suggests it may have a characteristic sulfur-like odor. Its solubility properties depend on the polar ester group and nonpolar alkyl chains present in its structure.
What is methyl 3-acetylsulfanyl-2-methylpropanoate used for?
Methyl 3-acetylsulfanyl-2-methylpropanoate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. Its unique acetylsulfanyl functional group makes it valuable for creating sulfur-containing compounds and potential drug precursors. The compound may also find applications in specialty chemical production, research and development activities, and as a building block for more complex molecular structures in fine chemical synthesis.
How to handle methyl 3-acetylsulfanyl-2-methylpropanoate safely?
Methyl 3-acetylsulfanyl-2-methylpropanoate requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound carries Warning signal word and GHS07 pictogram, indicating moderate hazard level requiring standard laboratory safety protocols.
How to store methyl 3-acetylsulfanyl-2-methylpropanoate correctly?
Methyl 3-acetylsulfanyl-2-methylpropanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Due to its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1), storage areas must have appropriate containment measures to prevent environmental release. Keep away from incompatible materials such as strong oxidizers and bases. Maintain storage temperature according to supplier specifications to ensure product stability.
What to do in case of contact with methyl 3-acetylsulfanyl-2-methylpropanoate?
In case of skin contact with methyl 3-acetylsulfanyl-2-methylpropanoate, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to its skin sensitization properties (Skin Sens. 1), seek medical advice if irritation develops or persists after exposure.
How to dispose of methyl 3-acetylsulfanyl-2-methylpropanoate properly?
Methyl 3-acetylsulfanyl-2-methylpropanoate must be disposed of through licensed hazardous waste disposal facilities due to its environmental toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). Never discharge to drains, soil, or water bodies. Collect waste in appropriate containers labeled with contents and hazard information. Follow local and national regulations for hazardous waste disposal, including proper documentation and manifesting requirements. Consider waste minimization through recovery or recycling where feasible.
How to transport methyl 3-acetylsulfanyl-2-methylpropanoate?
Methyl 3-acetylsulfanyl-2-methylpropanoate is classified under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III, indicating moderate danger during transport. Use appropriate UN-specification packaging designed for Class 9 materials. Ensure packages are properly labeled with hazard labels and shipping names. Transport vehicles must comply with ADR requirements including proper documentation, emergency procedures, and driver training. Avoid transport during extreme weather conditions that could affect package integrity.
Is methyl 3-acetylsulfanyl-2-methylpropanoate subject to specific regulations?
Methyl 3-acetylsulfanyl-2-methylpropanoate is subject to European REACH and CLP regulations due to its hazardous properties. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must be classified and labeled according to CLP regulation with Warning signal word and appropriate GHS pictograms (GHS07, GHS09). Users must comply with safety data sheet requirements, exposure assessments, and risk management measures under REACH framework.
Where to buy methyl 3-acetylsulfanyl-2-methylpropanoate in Europe?
Methyl 3-acetylsulfanyl-2-methylpropanoate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains across Europe with proper regulatory compliance, documentation, and technical support. As a professional chemical supplier, OYSI ensures product quality, appropriate packaging, and adherence to transportation regulations for hazardous materials. Contact OYSI directly for availability, specifications, and technical assistance for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.