2-methylpropyl 2-(oxiran-2-yl)acetate

C8H14O3

CAS100181-71-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
100181-71-3
EC Number
401-920-9
UN Number
3082
Index Number
607-191-00-5
PubChem CID
5463767

Physical-chemical properties

Molecular Formula
C8H14O3
Molar Mass
158.19 g/mol
IUPAC Name
2-methylpropyl 2-(oxiran-2-yl)acetate

Chemical Identifiers

InChI
InChI=1S/C8H14O3/c1-6(2)4-11-8(9)3-7-5-10-7/h6-7H,3-5H2,1-2H3
InChI Key
KLQCEQLRGRMLBI-UHFFFAOYSA-N

Overview

2-methylpropyl 2-(oxiran-2-yl)acetate (CAS 100181-71-3) is an epoxy-functional ester compound with reactive oxirane groups and moderate skin sensitization properties. This specialized chemical compound represents an important class of epoxy-functional esters widely utilized in industrial applications requiring reactive functionality. With the molecular formula C8H14O3 and a molecular weight of 158.19 g/mol, this substance combines the reactivity of an epoxide ring with the versatility of an ester linkage. The presence of the oxirane group makes it particularly valuable for crosslinking reactions and polymer modification processes. From a safety perspective, 2-methylpropyl 2-(oxiran-2-yl)acetate requires careful handling due to its classification as a skin irritant and sensitizer. The compound carries GHS07 and GHS09 pictograms, indicating both health hazards and environmental concerns, particularly regarding aquatic toxicity. As an ADR Class 9 substance, it falls under miscellaneous dangerous goods for transportation purposes, necessitating appropriate packaging and documentation. The compound finds primary applications in polymer chemistry as a reactive modifier for epoxy resins and coating formulations. Its bifunctional nature allows it to serve as a crosslinking agent in adhesive systems and as a compatibilizer in composite materials. Additionally, it functions effectively in surface treatment applications where controlled reactivity is essential. While structurally different from phenolic compounds like 2-hexadecan-2-yl-4,6-dimethylphenol, both substances share applications in specialized chemical modifications, though serving distinctly different reactive mechanisms in polymer systems. OYSI provides reliable access to 2-methylpropyl 2-(oxiran-2-yl)acetate for European industrial customers, ensuring consistent quality and regulatory compliance for demanding technical applications.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

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 NameIsobutyl-3,4-epoxybutanoat
Marine PollutantNo

Frequently Asked Questions

What is 2-methylpropyl 2-(oxiran-2-yl)acetate?

2-methylpropyl 2-(oxiran-2-yl)acetate is an organic chemical compound with the molecular formula C8H14O3 and CAS number 100181-71-3. This substance has a molecular weight of 158.19 g/mol and contains both an ester functional group and an epoxide ring (oxirane) in its structure. It is classified as a hazardous substance due to its potential for skin irritation and sensitization, as well as its acute and chronic aquatic toxicity properties.

What are the physicochemical properties of 2-methylpropyl 2-(oxiran-2-yl)acetate?

2-methylpropyl 2-(oxiran-2-yl)acetate is an organic ester compound with a molecular weight of 158.19 g/mol and molecular formula C8H14O3. The presence of the epoxide ring and ester functional groups influences its chemical reactivity and solubility characteristics. As a typical organic ester with moderate molecular weight, it likely exhibits limited water solubility but good solubility in organic solvents. Its exact physical state, color, and odor would depend on specific conditions and purity.

What is 2-methylpropyl 2-(oxiran-2-yl)acetate used for?

2-methylpropyl 2-(oxiran-2-yl)acetate is used primarily as a chemical intermediate in organic synthesis and manufacturing processes. The presence of both ester and epoxide functional groups makes it valuable for various chemical reactions, including polymerization, crosslinking reactions, and as a building block for more complex molecules. It may find applications in specialty chemical manufacturing, polymer chemistry, and pharmaceutical intermediate synthesis where reactive epoxide functionality is required.

How to handle 2-methylpropyl 2-(oxiran-2-yl)acetate safely?

2-methylpropyl 2-(oxiran-2-yl)acetate requires careful handling due to its skin irritation and sensitization potential. Essential personal protective equipment includes 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. Avoid inhalation of vapors and ensure no eating, drinking, or smoking in work areas. Wash hands thoroughly after handling and follow good industrial hygiene practices.

How to store 2-methylpropyl 2-(oxiran-2-yl)acetate correctly?

2-methylpropyl 2-(oxiran-2-yl)acetate should be stored in tightly closed original containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Due to its epoxide functionality, avoid storage near strong acids, bases, or nucleophilic compounds that could cause unwanted reactions. Keep containers upright and ensure proper labeling. Storage areas should be equipped with appropriate spill containment measures and kept away from incompatible materials to prevent accidental reactions.

What to do in case of contact with 2-methylpropyl 2-(oxiran-2-yl)acetate?

2-methylpropyl 2-(oxiran-2-yl)acetate contact requires immediate action due to its skin irritation potential. For skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with plenty of clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical advice immediately while providing safety data sheet information.

How to dispose of 2-methylpropyl 2-(oxiran-2-yl)acetate properly?

2-methylpropyl 2-(oxiran-2-yl)acetate must be disposed of according to local and national hazardous waste regulations due to its classification as environmentally hazardous (Aquatic Acute 1, Aquatic Chronic 1). Do not discharge into drains, waterways, or soil. Collect waste in appropriate containers and arrange disposal through licensed hazardous waste contractors. Incineration at authorized facilities under controlled conditions is typically the preferred disposal method. Consult local environmental authorities for specific disposal requirements and approved waste management facilities.

How to transport 2-methylpropyl 2-(oxiran-2-yl)acetate?

2-methylpropyl 2-(oxiran-2-yl)acetate is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods transport regulations. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles require placarding and drivers need appropriate training. Ensure compliance with ADR regulations for road transport and corresponding regulations for other transport modes including rail, sea, and air transport.

Is 2-methylpropyl 2-(oxiran-2-yl)acetate subject to specific regulations?

2-methylpropyl 2-(oxiran-2-yl)acetate is subject to various European chemical regulations including REACH registration requirements and CLP classification and labeling obligations. It is not currently listed as a SVHC (Substance of Very High Concern) under REACH. The substance must be classified and labeled according to CLP regulation with Warning signal word and appropriate hazard pictograms (GHS07, GHS09). Companies handling this substance must ensure compliance with occupational health and safety regulations and environmental protection requirements.

Where to buy 2-methylpropyl 2-(oxiran-2-yl)acetate in Europe?

2-methylpropyl 2-(oxiran-2-yl)acetate is available through OYSI, a specialized European distributor of technical chemicals and industrial raw materials. OYSI provides reliable supply chains for specialty chemicals across European markets, ensuring proper handling, storage, and transportation of hazardous substances. As a professional chemical distributor, OYSI maintains appropriate certifications and regulatory compliance for the distribution of classified substances, providing customers with necessary documentation including safety data sheets and certificates of analysis.

Data Sources

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