(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate

C24H32O4

CAS57960-19-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
57960-19-7
UN Number
3077
Index Number
606-144-00-6
PubChem CID
93315

Physical-chemical properties

Molecular Formula
C24H32O4
Molar Mass
384.50 g/mol
IUPAC Name
(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate

Chemical Identifiers

InChI
InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3
InChI Key
QDRXWCAVUNHOGA-UHFFFAOYSA-N

Overview

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate (CAS 57960-19-7) is a naphthoquinone derivative compound with significant biological activity and environmental persistence concerns. This specialized organic compound belongs to the naphthoquinone family, characterized by its complex molecular structure featuring a naphthalene ring system with two ketone groups and a long dodecyl alkyl chain. With a molecular formula of C24H32O4 and molecular weight of 384.5 g/mol, this acetate ester exhibits unique physicochemical properties that make it valuable for specific industrial applications while requiring careful handling protocols. The compound presents considerable safety considerations, classified under multiple hazard categories including specific target organ toxicity (STOT SE 1 and STOT RE 2), skin sensitization (Skin Sens. 1), and significant aquatic toxicity (Aquatic Acute 1 and Aquatic Chronic 1). The GHS08, GHS07, and GHS09 pictograms with "Danger" signal word emphasize the need for appropriate personal protective equipment and environmental protection measures during handling and storage. Its ADR Class 9 classification indicates it requires special transport considerations as a miscellaneous dangerous substance. Industrial applications of (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate typically include use as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical manufacturing, and as a specialized reagent in biochemical research applications. Unlike simpler aromatic compounds such as diphenyldiazene, this naphthoquinone derivative offers enhanced specificity for targeted synthetic pathways due to its extended alkyl chain and acetate functionality. OYSI maintains reliable supply chains for this specialized naphthoquinone derivative, ensuring consistent availability for European industrial customers requiring high-purity organic intermediates.

Safety & Classification

Danger
Classification:

STOT SE 1; STOT RE 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H370

Causes damage to organs.

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

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 NameAcequinocyl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate is a synthetic organic compound with CAS number 57960-19-7 and molecular formula C24H32O4. This chemical features a naphthalenedione core structure with a dodecyl chain and acetate group, resulting in a molecular weight of 384.5 g/mol. It is classified as a hazardous substance requiring careful handling due to its potential health and environmental impacts.

What are the physicochemical properties of (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate is an organic compound with molecular formula C24H32O4 and molecular weight 384.5 g/mol. The presence of the long dodecyl chain suggests lipophilic characteristics, while the naphthalenedione structure typically imparts a colored appearance. Its acetate functionality may influence solubility properties, though specific physical parameters require experimental determination for precise characterization.

What is (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate used for?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate is used in specialized industrial applications where its unique naphthalenedione structure provides specific chemical properties. Its molecular structure suggests potential applications in materials science, specialty chemical synthesis, or as an intermediate in pharmaceutical or agrochemical manufacturing. The exact applications depend on the specific requirements of end-users and regulatory approvals for intended uses.

How to handle (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate safely?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Skin Sens. 1 classification. Work in well-ventilated areas to minimize inhalation exposure, considering its STOT SE 1 and STOT RE 2 classifications. Avoid skin contact and ensure emergency procedures are readily available.

How to store (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate correctly?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Given its hazard classifications, storage areas must be equipped with appropriate containment measures to prevent environmental release. Secondary containment is recommended due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications to protect water sources.

What to do in case of contact with (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate?

Immediate decontamination is essential following contact with (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate. For skin contact, remove contaminated clothing and wash thoroughly with soap and water due to its skin sensitization potential. In case of eye contact, flush immediately with clean water for at least 15 minutes. Seek medical attention promptly, especially considering the STOT classifications, and provide the safety data sheet to medical personnel.

How to dispose of (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate properly?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate must be disposed of through licensed hazardous waste disposal facilities in accordance with local and European waste regulations. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, it cannot be released to water systems or standard municipal waste streams. Contact certified waste management companies for appropriate treatment and disposal methods.

How to transport (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling with UN identification numbers, and transport documentation. Vehicles must carry appropriate emergency equipment, and drivers need ADR training certification. Consult current ADR regulations for specific packaging and documentation requirements.

Is (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate subject to specific regulations?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate is subject to REACH registration requirements and CLP classification regulations within the European Union. While not currently listed as an SVHC (Substance of Very High Concern), its hazard classifications require compliance with occupational exposure limits and environmental protection measures. Users must ensure proper risk assessments and implement appropriate risk management measures.

Where to buy (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate in Europe?

(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI provides properly classified and documented products meeting European regulatory requirements including REACH compliance. Contact OYSI directly for availability, specifications, and regulatory documentation required for your specific application and location within Europe.

Data Sources

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