6-methylheptyl prop-2-enoate

C11H20O2

CAS29590-42-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
29590-42-9
EC Number
249-707-8
UN Number
3082
Index Number
607-244-00-2
PubChem CID
165746

Physical-chemical properties

Molecular Formula
C11H20O2
Molar Mass
184.27 g/mol
IUPAC Name
6-methylheptyl prop-2-enoate

Chemical Identifiers

InChI
InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3
InChI Key
DXPPIEDUBFUSEZ-UHFFFAOYSA-N

Overview

6-methylheptyl prop-2-enoate (CAS 29590-42-9) is an acrylate ester compound with branched alkyl chain structure and polymerizable double bond functionality. This specialized acrylate monomer belongs to the family of alkyl acrylates, characterized by its unique 6-methylheptyl side chain that imparts distinctive properties to polymer formulations. With the molecular formula C11H20O2 and a molecular weight of 184.27 g/mol, this compound serves as a valuable building block in various polymerization processes. The EC number 249-707-8 confirms its regulatory registration within European chemical databases. The compound exhibits typical acrylate reactivity through its prop-2-enoate functional group, enabling radical polymerization and copolymerization reactions. Its branched alkyl structure provides enhanced flexibility and improved low-temperature properties in resulting polymers. Safety considerations include classification as STOT SE 3, Skin Irritant 2, and Eye Irritant 2, requiring appropriate handling precautions under the GHS07 pictogram guidelines. The compound also presents aquatic toxicity concerns (GHS09), classified as Aquatic Acute 1 and Aquatic Chronic 1, necessitating careful environmental management. Industrial applications primarily focus on specialty polymer synthesis, including adhesive formulations, coating systems, and elastomer production where the branched alkyl chain contributes to enhanced flexibility and adhesion properties. Unlike more complex compounds such as 1,1'-biphenyl, tris(N,N-dimethylcarbamodithioate);iron(3+), this acrylate offers straightforward incorporation into polymer matrices through conventional free radical mechanisms. The compound is classified under ADR Class 9 for transportation purposes, reflecting its miscellaneous dangerous goods status. OYSI maintains reliable supply chains for 6-methylheptyl prop-2-enoate to support European industrial applications requiring this specialized acrylate monomer.

Safety & Classification

Warning
Classification:

STOT SE 3; Skin Irrit. 2; Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H335

May cause respiratory irritation.

H315

Causes skin irritation.

H319

Causes serious eye irritation.

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

Inhalation

Irritant

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

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:

Eye Contact

Irritant

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 NameIsooctylacrylat
Marine PollutantNo

Frequently Asked Questions

What is 6-methylheptyl prop-2-enoate?

6-methylheptyl prop-2-enoate is an organic chemical compound with the molecular formula C11H20O2 and CAS number 29590-42-9. This acrylate ester has a molecular weight of 184.27 g/mol and belongs to the family of branched alkyl acrylates. It is classified as a hazardous substance with moderate toxicity and environmental concerns, requiring appropriate handling precautions in industrial applications.

What are the physicochemical properties of 6-methylheptyl prop-2-enoate?

6-methylheptyl prop-2-enoate is typically a colorless to pale yellow liquid at room temperature with a characteristic acrylic odor. As an acrylate ester with molecular formula C11H20O2, it exhibits low water solubility due to its branched alkyl chain structure. The compound has a molecular weight of 184.27 g/mol and shows typical ester reactivity, being susceptible to hydrolysis and polymerization under certain conditions.

What is 6-methylheptyl prop-2-enoate used for?

6-methylheptyl prop-2-enoate is primarily used as a monomer in polymer chemistry and coating applications. This acrylate ester serves as a building block for producing specialty polymers, adhesives, and surface coatings where flexibility and durability are required. Its branched structure provides enhanced performance characteristics in formulations requiring specific mechanical properties and chemical resistance in industrial applications.

How to handle 6-methylheptyl prop-2-enoate safely?

6-methylheptyl prop-2-enoate requires careful handling due to its skin and eye irritant properties (Skin Irrit. 2; Eye Irrit. 2) and STOT SE 3 classification. Essential safety equipment includes chemical-resistant gloves, safety goggles, and adequate ventilation. Avoid direct skin and eye contact, prevent inhalation of vapors, and work in well-ventilated areas. Keep away from heat sources and oxidizing agents to prevent unwanted polymerization reactions.

How to store 6-methylheptyl prop-2-enoate properly?

6-methylheptyl prop-2-enoate should be stored in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and incompatible materials. Keep containers tightly sealed to prevent contamination and evaporation. Store away from oxidizing agents and polymerization initiators. Maintain storage temperature below 25°C when possible and ensure proper containment to prevent environmental release due to its aquatic toxicity classification.

What to do in case of contact with 6-methylheptyl prop-2-enoate?

Skin contact with 6-methylheptyl prop-2-enoate requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical care. Always consult the safety data sheet for complete emergency procedures.

How to dispose of 6-methylheptyl prop-2-enoate appropriately?

6-methylheptyl prop-2-enoate must be disposed of as hazardous waste according to local and European waste regulations due to its environmental classification (Aquatic Acute 1; Aquatic Chronic 1). Contact licensed waste disposal companies specialized in chemical waste management. Never discharge into sewers, waterways, or soil. Small quantities may be suitable for incineration at authorized facilities. Always follow national and local environmental protection guidelines for proper disposal.

How to transport 6-methylheptyl prop-2-enoate?

6-methylheptyl prop-2-enoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation for road transport within Europe. Use UN-approved packaging and ensure proper hazard communication through shipping documents. Transport vehicles must comply with ADR regulations for Class 9 substances, including appropriate emergency equipment and driver training requirements.

Is 6-methylheptyl prop-2-enoate subject to specific regulations?

6-methylheptyl prop-2-enoate is subject to standard European chemical regulations including REACH registration and CLP classification requirements. It displays GHS07 and GHS09 pictograms with "Warning" signal word, indicating mandatory hazard communication. The substance is not currently listed as a SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits and environmental protection measures due to its irritant and aquatic toxicity properties.

Where to buy 6-methylheptyl prop-2-enoate in Europe?

6-methylheptyl prop-2-enoate is available through OYSI, a specialized European distributor of technical chemicals serving industrial customers across Europe. OYSI provides this specialty acrylate ester with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures quality standards and reliable supply chains for industrial applications requiring this specific monomer compound.

Data Sources

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