[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate

C21H24Cl2O4

CAS148477-71-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
148477-71-8
UN Number
3077
Index Number
607-730-00-4
PubChem CID
177863

Physical-chemical properties

Molecular Formula
C21H24Cl2O4
Molar Mass
411.30 g/mol
IUPAC Name
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate

Chemical Identifiers

InChI
InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
InChI Key
DTDSAWVUFPGDMX-UHFFFAOYSA-N

Overview

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate (CAS 148477-71-8) is a spirocyclic organochlorine compound with high toxicity classification and potential carcinogenic properties. This complex organic molecule represents a sophisticated chemical structure featuring a spiro[4.5]decane core system combined with a dichlorophenyl substituent and a dimethylbutanoate ester group. With a molecular formula of C21H24Cl2O4 and molecular weight of 411.3 g/mol, this compound exhibits significant biological activity that necessitates careful handling protocols due to its serious health hazards. The substance is classified under multiple danger categories including Category 1B carcinogen, Category 2 reproductive toxicant, and Category 2 specific target organ toxicity following repeated exposure. Its hazard profile also includes skin sensitization properties and chronic aquatic toxicity, requiring comprehensive safety measures during storage, handling, and transportation. The compound falls under ADR Class 9 for transport purposes and displays GHS08, GHS07, and GHS09 pictograms with a "Danger" signal word. Unlike simpler aromatic compounds such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, this spirocyclic structure provides unique chemical properties that make it valuable in specialized applications. The compound finds primary use in pharmaceutical research and development, particularly in medicinal chemistry programs requiring complex molecular scaffolds. Additional applications include specialty chemical synthesis and advanced material science research where its unique structural features contribute to specific performance characteristics. Industrial users also employ this substance in agrochemical intermediate production and specialized coating formulations where its molecular architecture provides enhanced stability and performance properties. OYSI maintains reliable supply chains for this high-purity specialty chemical to serve European research institutions and industrial manufacturers requiring consistent quality standards.

Safety & Classification

Danger
Classification:

Carc. 1B; Repr. 2; STOT RE 2; Skin Sens. 1B; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

H410

Very toxic to aquatic life with long lasting effects.

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameSpirodiclofen (ISO)
Marine PollutantNo

Frequently Asked Questions

What is [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is a complex organic compound with CAS number 148477-71-8 and molecular formula C21H24Cl2O4. This spirocyclic compound has a molecular weight of 411.3 g/mol and features a dichlorophenyl group attached to a spiro ring system with a dimethylbutanoate ester group. It is classified as a hazardous substance with carcinogenic and reproductive toxicity properties.

What are the physicochemical properties of [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is an organic compound with a molecular weight of 411.3 g/mol. The presence of chlorine atoms and the ester functionality suggest it is likely a solid or viscous liquid at room temperature with limited water solubility due to its lipophilic nature. The compound contains aromatic rings and multiple functional groups that influence its chemical stability and reactivity.

What is [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate used for?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is primarily used in specialized chemical synthesis and research applications. Its complex spirocyclic structure makes it valuable as an intermediate in pharmaceutical research or as a building block for developing bioactive compounds. Given its hazard classification, it is typically used in controlled laboratory environments for specific synthetic applications rather than in large-scale industrial processes.

How to handle [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate safely?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate must be handled with extreme caution due to its carcinogenic (Carc. 1B) and reproductive toxicity (Repr. 2) properties. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Personnel should be trained in handling carcinogenic substances and follow strict hygiene protocols.

How to store [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate properly?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Due to its carcinogenic classification, it requires secure storage in designated areas with restricted access. Containers must be tightly sealed and properly labeled with hazard warnings. Storage should comply with local regulations for carcinogenic substances and be separated from incompatible materials and food products.

What to do in case of contact with [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?

Immediate action is required if contact occurs with [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate. For skin contact, immediately remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes while holding eyelids open. Seek immediate medical attention in all cases and inform medical personnel about the carcinogenic nature of the substance.

How to dispose of [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate appropriately?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate must be disposed of as hazardous waste due to its carcinogenic properties and environmental toxicity (Aquatic Chronic 1). Disposal must be conducted through licensed hazardous waste disposal facilities following local and national regulations. The substance cannot be discharged into sewers, water bodies, or regular waste streams. All contaminated materials including containers, PPE, and cleaning materials must also be treated as hazardous waste.

How to transport [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. This classification requires appropriate packaging, labeling with Class 9 hazard labels, and transport documentation. Packages must be properly secured and marked according to dangerous goods regulations. Transport should only be conducted by certified dangerous goods carriers following ADR/IMDG/IATA requirements depending on the transport mode.

Is [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate subject to specific regulations?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. Its carcinogenic (Carc. 1B) and reproductive toxicity (Repr. 2) classifications impose strict handling, labeling, and reporting requirements. Users must comply with occupational exposure limits, maintain safety data sheets, and follow worker protection measures. The substance may also be subject to authorization procedures under REACH due to its hazardous properties.

Where to buy [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate in Europe?

[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is available through OYSI, a specialized European distributor of chemical products. OYSI provides access to this compound for qualified research institutions and industrial users who require it for legitimate applications. Due to the substance's hazardous nature, procurement requires proper documentation, compliance verification, and adherence to regulatory requirements. Contact OYSI directly to discuss availability, technical specifications, and regulatory compliance requirements for your specific application.

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[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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