[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate

C10H16O4S

CAS143446-73-5
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
143446-73-5
EC Number
433-530-1
UN Number
3082
Index Number
607-647-00-3
PubChem CID
66570692

Physical-chemical properties

Molecular Formula
C10H16O4S
Molar Mass
232.30 g/mol
IUPAC Name
[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate

Chemical Identifiers

InChI
InChI=1S/C10H16O4S/c1-3-4-8(12)5-9-13-6-10(15-9)14-7(2)11/h9-10H,3-6H2,1-2H3
InChI Key
NVOKHIMPUKEFNE-UHFFFAOYSA-N

Overview

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate (CAS 143446-73-5) is an organosulfur compound featuring both oxathiolane ring structure and acetate functionality with moderate toxicity classification. This specialized chemical compound represents an important class of heterocyclic organosulfur molecules characterized by its unique 1,3-oxathiolane ring system combined with an acetate ester group. With the molecular formula C10H16O4S and a molecular weight of 232.3 g/mol, this substance demonstrates the structural complexity typical of modern industrial intermediates. The compound's EC number 433-530-1 reflects its registration status within European chemical regulations. From a safety perspective, [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate carries significant handling considerations. The substance is classified under the Globally Harmonized System as Acute Toxicity Category 4, Skin Sensitizer Category 1, and Aquatic Acute Toxicity Category 1, requiring appropriate personal protective equipment and environmental precautions. The Warning signal word and associated GHS07 and GHS09 pictograms indicate both health and environmental hazards that demand professional handling protocols. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance. The compound finds primary applications in specialty chemical synthesis, particularly as an intermediate in pharmaceutical manufacturing and as a building block for complex organic molecules. Its oxathiolane ring structure makes it valuable in developing sulfur-containing pharmaceuticals and agrochemicals. Similar to other specialized acetate esters like 2-methylpropyl 2-(oxiran-2-yl)acetate, this compound serves important roles in creating functionalized materials with specific biological or chemical properties. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers across European markets.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

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

Irritant

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

Harmful

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name5-Acetoxy-2-(R,S)butyryloxymethyl-1,3-oxathiolan
Marine PollutantNo

Frequently Asked Questions

What is [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate is an organic compound with molecular formula C10H16O4S and CAS number 143446-73-5. This chemical features a unique oxathiolane ring structure combined with an acetate group and a pentyl ketone chain, giving it a molecular weight of 232.3 g/mol. It belongs to the class of organosulfur compounds and is classified as moderately hazardous with warning-level toxicity and environmental concerns.

What are the physicochemical properties of [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate has a molecular weight of 232.3 g/mol and contains sulfur, oxygen, and carbon atoms in its structure. The compound's physical state, color, odor, and solubility characteristics would typically depend on its specific formulation and purity grade. Its oxathiolane ring structure suggests moderate polarity, which may influence its solubility in various solvents and its interaction with biological systems.

What is [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate used for?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research. Its unique structural features, including the oxathiolane ring and acetate functionality, make it valuable for developing specialized compounds in fine chemical manufacturing. The substance may also serve as a building block in the synthesis of bioactive molecules or specialty materials requiring specific sulfur-containing heterocyclic structures.

How to handle [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate safely?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate 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 minimize inhalation exposure. Avoid direct contact with skin and eyes, and ensure emergency washing facilities are readily available during handling operations.

How to store [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate properly?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Keep containers upright and properly labeled according to GHS requirements with GHS07 and GHS09 pictograms. Store separately from incompatible materials and ensure storage areas have appropriate spill containment measures due to its aquatic toxicity classification.

What to do in case of contact with [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate?

Immediate action is required if contact occurs with [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate due to its skin sensitization potential. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with plenty of clean water for 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if symptoms develop or persist after exposure.

How to dispose of [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate appropriately?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate must be disposed of as hazardous waste according to local and national environmental regulations due to its Aquatic Acute 1 classification. Contact licensed waste disposal companies specialized in chemical waste management. Never discharge into sewers, waterways, or soil. Contaminated containers and materials should also be treated as hazardous waste and disposed of through appropriate channels to prevent environmental contamination.

How to transport [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate is classified as ADR Class 9, Packing Group III for transportation purposes. This classification indicates it's a miscellaneous dangerous substance requiring specific packaging and labeling requirements during transport. Packages must be properly marked, labeled with appropriate hazard pictograms, and accompanied by proper shipping documentation. Transport vehicles should carry appropriate emergency equipment and drivers must have relevant dangerous goods training certification.

Is [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate subject to special regulations?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate is subject to REACH regulation in Europe and must comply with CLP classification requirements as indicated by its hazard classifications. The substance is not currently identified as a Substance of Very High Concern (SVHC). Users must ensure proper registration, evaluation, and authorization compliance. Safety data sheets must be provided, and downstream users should implement appropriate risk management measures based on the substance's hazard profile.

Where to buy [2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate in Europe?

[2-(2-oxopentyl)-1,3-oxathiolan-4-yl] acetate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to professional users including research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As a regulated substance requiring proper handling and documentation, purchase is typically restricted to qualified industrial and research customers with appropriate safety and handling capabilities.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.