Bis(prop-2-enyl) benzene-1,2-dicarboxylate

C14H14O4

bis(prop-2-enyl) benzene-1,2-dicarboxylate

CAS131-17-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
131-17-9
EC Number
205-016-3
UN Number
3082
Index Number
607-086-00-4
PubChem CID
8560

Physical-chemical properties

Molecular Formula
C14H14O4
Molar Mass
246.26 g/mol
IUPAC Name
bis(prop-2-enyl) benzene-1,2-dicarboxylate

Chemical Identifiers

InChI
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InChI Key
QUDWYFHPNIMBFC-UHFFFAOYSA-N

Overview

bis(prop-2-enyl) benzene-1,2-dicarboxylate (CAS 131-17-9) is an aromatic diester compound with reactive allyl groups and plasticizing properties. This phthalate derivative, also known by its molecular formula C14H14O4, represents a specialized chemical intermediate characterized by its unique combination of aromatic stability and aliphatic reactivity. With a molecular weight of 246.26 g/mol, this compound features two allyl ester groups attached to a benzene-1,2-dicarboxylate backbone, providing distinctive cross-linking capabilities that distinguish it from conventional phthalate plasticizers. The compound exhibits moderate acute toxicity (Acute Tox. 4) and significant aquatic toxicity, requiring careful handling protocols and appropriate safety measures. Its GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. The warning signal word reflects the need for standard industrial safety precautions during storage, handling, and processing operations. Industrial applications primarily focus on polymer chemistry and materials science, where the allyl functionality enables cross-linking reactions in thermoset resins and specialty coatings. The compound serves as a reactive plasticizer in high-performance applications requiring enhanced thermal stability and chemical resistance. Additionally, it functions as a cross-linking agent in radiation-curable systems, particularly in industries demanding durable surface treatments. Unlike simpler compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this phthalate derivative offers both flexibility and cross-linking potential in a single molecule. OYSI maintains reliable supply chains for bis(prop-2-enyl) benzene-1,2-dicarboxylate to support European industrial customers requiring consistent quality and technical support.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

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 NameDiallylphthalat
Marine PollutantNo

Frequently Asked Questions

What is bis(prop-2-enyl) benzene-1,2-dicarboxylate?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate is an organic chemical compound with the molecular formula C14H14O4 and CAS number 131-17-9. This substance is a diester derived from phthalic acid (benzene-1,2-dicarboxylic acid) and allyl alcohol. With a molecular weight of 246.26 g/mol, it belongs to the family of phthalate esters and is classified as moderately hazardous with warning-level toxicity and environmental concerns.

What are the physicochemical properties of bis(prop-2-enyl) benzene-1,2-dicarboxylate?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate is typically a colorless to pale yellow liquid at room temperature with a characteristic ester odor. The compound has a molecular weight of 246.26 g/mol and contains allyl ester functional groups that make it reactive to polymerization. It has limited water solubility due to its organic nature but is soluble in most organic solvents. The presence of double bonds in the allyl groups makes it susceptible to oxidation and polymerization reactions.

What is bis(prop-2-enyl) benzene-1,2-dicarboxylate used for?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate is primarily used as a crosslinking agent and plasticizer in polymer applications. Its allyl groups enable crosslinking reactions in thermosetting resins, making it valuable in the production of durable plastic materials. The compound is also utilized in the manufacture of specialty coatings, adhesives, and composite materials where enhanced mechanical properties and chemical resistance are required. Its phthalate structure provides plasticizing effects while the allyl functionality adds crosslinking capability.

How to handle bis(prop-2-enyl) benzene-1,2-dicarboxylate safely?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate should be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Tox. 4 classification. Work in well-ventilated areas or under fume extraction to avoid inhalation exposure. Avoid skin and eye contact, and prevent release to the environment due to its aquatic toxicity classification. Use proper handling procedures to prevent spills and ensure all personnel are trained in safe chemical handling practices.

How to store bis(prop-2-enyl) benzene-1,2-dicarboxylate correctly?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Due to the reactive allyl groups, avoid storage near strong oxidizers, acids, or bases that could initiate polymerization. Keep containers upright and properly labeled according to GHS requirements with warning pictograms GHS07 and GHS09. Store away from environmental release points due to its aquatic toxicity classification.

What to do in case of contact with bis(prop-2-enyl) benzene-1,2-dicarboxylate?

In case of skin contact with bis(prop-2-enyl) benzene-1,2-dicarboxylate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult a physician if symptoms develop or persist after exposure.

How to dispose of bis(prop-2-enyl) benzene-1,2-dicarboxylate appropriately?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate must be disposed of through licensed hazardous waste disposal facilities in accordance with local, national, and EU waste regulations. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), it cannot be discharged to sewers or the environment. Waste should be collected in appropriate containers, properly labeled, and handled by certified waste management companies. Small quantities should never be poured down drains or disposed of with regular waste.

How to transport bis(prop-2-enyl) benzene-1,2-dicarboxylate?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation for road transport within Europe. Packages must be properly marked with the substance name, UN number, and hazard labels. Transport vehicles should carry appropriate emergency equipment and drivers must have ADR certification. Proper shipping papers and emergency response information must accompany shipments.

Is bis(prop-2-enyl) benzene-1,2-dicarboxylate subject to specific regulations?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate is subject to EU REACH regulation requiring registration for import/manufacture above certain tonnages. It is classified under CLP regulation with specific hazard classifications (Acute Tox. 4, Aquatic Acute 1, Aquatic Chronic 1) requiring appropriate labeling and safety data sheets. The substance is not currently listed as SVHC under REACH. Users must comply with occupational exposure limits and environmental protection measures due to its toxicity classification.

Where to buy bis(prop-2-enyl) benzene-1,2-dicarboxylate in Europe?

Bis(prop-2-enyl) benzene-1,2-dicarboxylate is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As an established chemical distributor, OYSI ensures product quality and handles all necessary transport and safety requirements. Contact OYSI directly for availability, specifications, packaging options, and delivery to your location within Europe.

Data Sources

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