2-[1-(sulfanylmethyl)cyclopropyl]acetic acid
C6H10O2S
Consulting for 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid
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Identification
- CAS Number
- 162515-68-6
- EC Number
- 420-240-3
- UN Number
- 3261
- Index Number
- 607-540-00-1
- PubChem CID
- 9793825
Physical-chemical properties
- Molecular Formula
- C6H10O2S
- Molar Mass
- 146.21 g/mol
- IUPAC Name
- 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid
Chemical Identifiers
- InChI
- InChI=1S/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8)
- InChI Key
- VFAXPOVKNPTBTM-UHFFFAOYSA-N
Overview
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid (CAS 162515-68-6) is an organosulfur compound featuring a cyclopropyl ring structure with sulfanylmethyl and acetic acid functionalities. This specialized organosulfur compound represents an important class of cyclopropyl-containing chemicals used in various industrial applications. With the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol, this compound combines the unique structural properties of a three-membered cyclopropane ring with both sulfur-containing and carboxylic acid functional groups. The presence of the sulfanylmethyl group (-CH2SH) attached to the cyclopropyl ring creates distinctive reactivity patterns that make this compound valuable in synthetic chemistry applications. The compound exhibits significant safety considerations, classified under multiple hazard categories including acute toxicity (Acute Tox. 4), skin corrosion (Skin Corr. 1B), skin sensitization (Skin Sens. 1), and aquatic chronic toxicity (Aquatic Chronic 2). These properties require careful handling protocols, appropriate personal protective equipment, and proper storage conditions. The GHS pictograms GHS05, GHS07, and GHS09 indicate corrosive, harmful, and environmentally hazardous properties respectively, while the ADR transport class 8 designation confirms its corrosive nature during shipping. Industrial applications typically include use as a synthetic intermediate in pharmaceutical manufacturing, specialty chemical production, and research applications where the unique cyclopropyl-sulfur combination provides specific structural requirements. Unlike simpler compounds such as N-cyclohexylcyclohexanamine, this molecule's complex architecture offers specialized functionality for targeted synthetic pathways. OYSI provides reliable access to 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid for qualified industrial customers across Europe, supporting diverse chemical manufacturing and research requirements.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; Skin Corr. 1B; Skin Sens. 1; Aquatic Chronic 2
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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | 3261 |
| ADR Class | 8 |
| Packing Group | II |
| Tunnel Code | E |
| Proper Shipping Name | 1-(Mercaptomethyl)cyclopropylessigsäure, fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid is an organic compound with the molecular formula C6H10O2S and CAS number 162515-68-6. This sulfur-containing carboxylic acid features a unique cyclopropyl ring structure with a sulfanylmethyl substituent and an acetic acid side chain. With a molecular weight of 146.21 g/mol, it is classified as a hazardous substance requiring careful handling due to its corrosive and toxic properties.
What are the physicochemical properties of 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid is a chemical compound with molecular formula C6H10O2S and molecular mass 146.21 g/mol. As a carboxylic acid containing sulfur, it likely exists as a solid or liquid at room temperature with characteristic acidic properties. The presence of the sulfanyl group may contribute to a distinctive odor. Specific physical properties such as melting point, boiling point, and solubility data should be obtained from the safety data sheet.
What is 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid used for?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid is primarily used as an intermediate in pharmaceutical and fine chemical synthesis. Its unique cyclopropyl-sulfanylmethyl structure makes it valuable for developing specialized compounds in medicinal chemistry research. The compound may serve as a building block for creating more complex molecules with specific biological activities. Due to its specialized nature, it is typically used in research laboratories and pharmaceutical development rather than large-scale industrial applications.
How to handle 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid safely?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid must be handled with extreme caution due to its Skin Corr. 1B and Acute Tox. 4 classifications. Always wear appropriate PPE including chemical-resistant gloves, safety goggles, and protective clothing. Work in a well-ventilated area or fume hood to avoid inhalation. Handle containers carefully to prevent spills and avoid direct skin contact. Follow strict hygiene measures and wash hands thoroughly after handling. Ensure emergency equipment is readily available.
How to store 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid correctly?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and upright to prevent leakage. Store separately from bases, oxidizing agents, and reactive metals due to its acidic nature. Ensure storage area has appropriate containment measures and emergency equipment. Regular inspection of containers for damage or deterioration is essential. Follow local regulations for hazardous chemical storage.
What to do in case of contact with 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid?
Immediate action is required if contact occurs with 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid due to its corrosive properties. For skin contact, immediately remove contaminated clothing and flush affected area with copious amounts of water for at least 15 minutes. If eye contact occurs, rinse immediately with water and seek medical attention. In case of inhalation, move to fresh air. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for detailed first aid measures.
How to dispose of 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid properly?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid must be disposed of as hazardous waste in accordance with local, national, and EU regulations. Never discharge into sewers, waterways, or regular waste streams due to its toxic and environmentally hazardous properties. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Neutralization may be required before disposal. Empty containers should also be treated as hazardous waste. Maintain proper documentation of all disposal activities.
How to transport 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid is classified as ADR Class 8, Packing Group II, indicating it is a corrosive substance requiring special transport precautions. It must be packaged in UN-approved containers suitable for corrosive materials and properly labeled with hazard placards. Transport vehicles must comply with ADR regulations including emergency equipment requirements. Drivers need appropriate hazmat certification and emergency response information. Shipping documents must include proper shipping names and hazard classifications.
Is 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid subject to specific regulations?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid is subject to multiple European regulations including REACH registration requirements and CLP classification obligations. The compound is not currently listed as a SVHC substance but must comply with standard chemical safety regulations. Its Acute Tox. 4, Skin Corr. 1B, and environmental hazard classifications trigger specific labeling, packaging, and handling requirements. Users must maintain safety data sheets and implement appropriate risk management measures according to EU chemical legislation.
Where to buy 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid in Europe?
2-[1-(sulfanylmethyl)cyclopropyl]acetic acid is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with comprehensive documentation including certificates of analysis and safety data sheets. As experienced chemical distributors, they ensure proper packaging, labeling, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, specifications, and pricing information for this specialized compound.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.