Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate

C20H26O6

bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate

CAS130066-57-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
130066-57-8
EC Number
413-930-0
UN Number
3082
Index Number
607-320-00-5
PubChem CID
86390

Physical-chemical properties

Molecular Formula
C20H26O6
Molar Mass
362.40 g/mol
IUPAC Name
bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate

Chemical Identifiers

InChI
InChI=1S/C20H26O6/c1-3-23-12-5-7-14-25-19(21)17-10-9-11-18(16-17)20(22)26-15-8-6-13-24-4-2/h3-4,9-11,16H,1-2,5-8,12-15H2
InChI Key
KZYBDOUJLUPBEH-UHFFFAOYSA-N

Overview

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate (CAS 130066-57-8) is a specialized diester compound with vinyl ether functionality and benzene dicarboxylate structure. This technical chemical compound represents a sophisticated organic molecule combining the structural elements of isophthalic acid derivatives with vinyl ether-terminated aliphatic chains. With a molecular formula of C20H26O6 and molecular weight of 362.4 g/mol, this diester exhibits unique reactivity profiles that make it valuable in specialized industrial applications. The presence of both ester linkages and vinyl ether groups provides dual functionality, enabling participation in various polymerization and crosslinking reactions. From a safety perspective, bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate is classified as a skin sensitizer (Skin Sens. 1) and poses environmental concerns with acute and chronic aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The compound carries GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate health hazards and environmental risks. Proper handling procedures, including appropriate personal protective equipment and environmental containment measures, are essential during storage, transport, and use. The ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. Industrial applications typically include use as a reactive monomer in specialty polymer synthesis, particularly in formulations requiring controlled crosslinking density. The compound also serves as an intermediate in the production of high-performance coating systems and as a modifier in adhesive formulations. Unlike simpler organometallic compounds such as butyl(triphenyl)boranuide;tetrabutylazanium, this diester provides more controlled reactivity profiles suitable for precision applications. OYSI maintains reliable supply chains for bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBis[4-(ethenyloxy)butyl]-1,3-benzendicarboxylat
Marine PollutantNo

Frequently Asked Questions

What is bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate is an organic chemical compound with CAS number 130066-57-8 and molecular formula C20H26O6. This substance belongs to the class of benzene dicarboxylate esters and has a molecular weight of 362.4 g/mol. It is classified as a skin sensitizer and poses environmental hazards to aquatic life. The compound features two ethenoxybutyl side chains attached to a benzene-1,3-dicarboxylate core structure.

What are the physicochemical properties of bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate is an organic ester compound with a molecular weight of 362.4 g/mol and formula C20H26O6. As a dicarboxylate ester with ether functionalities, it likely exists as a liquid or low-melting solid at room temperature. The compound's structure suggests moderate polarity due to the ester and ether groups, potentially offering limited water solubility but good solubility in organic solvents.

What is bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate used for?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate is typically used as a chemical intermediate or specialty monomer in polymer synthesis and materials science applications. The compound's structure with reactive vinyl groups (ethenoxy) makes it suitable for polymerization reactions and cross-linking applications. It may find use in the production of specialty plastics, coatings, adhesives, or as a building block for more complex chemical syntheses in industrial manufacturing processes.

How to handle bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate safely?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate requires careful handling due to its skin sensitization properties (Skin Sens. 1). Operators must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume extraction systems. The Warning signal word indicates moderate hazard level, requiring adherence to standard chemical safety protocols and proper training.

How to store bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate correctly?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Given its skin sensitization properties and environmental hazards, storage areas must be secure and equipped with appropriate containment measures. The substance should be kept in original, tightly sealed containers and separated from incompatible materials. Storage facilities should comply with local chemical storage regulations and include spill containment provisions.

What to do in case of contact with bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate?

Immediate action is required upon contact with bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate due to its skin sensitization properties. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If irritation persists or sensitization symptoms develop, seek medical attention promptly and provide the safety data sheet to healthcare professionals.

How to dispose of bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate appropriately?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate must be disposed of as hazardous waste due to its environmental classification (Aquatic Acute 1; Aquatic Chronic 1). Disposal must comply with local and national waste management regulations, typically requiring collection by licensed hazardous waste contractors. The substance should never be released to drains, soil, or waterways. Proper waste classification codes must be assigned, and disposal documentation maintained according to regulatory requirements.

How to transport bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling with GHS07 and GHS09 pictograms, and proper documentation including transport documents. Vehicles must comply with ADR regulations for Class 9 substances, and drivers require appropriate dangerous goods training. The relatively low hazard classification (Group III) allows standard Class 9 transport procedures.

Is bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate subject to specific regulations?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate falls under standard European chemical regulations including REACH and CLP classification requirements. The substance is not currently identified as a Substance of Very High Concern (SVHC). However, its hazard classifications (Skin Sens. 1, Aquatic Acute 1, Aquatic Chronic 1) require compliance with appropriate labeling, safety data sheet provision, and risk management measures. Users must ensure proper registration status and compliance with occupational exposure limits where established.

Where to buy bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate in Europe?

Bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate is available through OYSI, a specialized European distributor of technical chemicals and intermediates. As an established chemical distributor, OYSI can provide this specialty compound with proper documentation, safety data sheets, and regulatory compliance support. Their European network ensures reliable supply chain management and technical support for industrial customers requiring this specific benzene dicarboxylate ester for their manufacturing processes and research applications.

Data Sources

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