3,3-bis(methoxymethyl)-2,5-dimethylhexane

C12H26O2

CAS129228-21-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
129228-21-3
EC Number
430-800-9
UN Number
3082
Index Number
603-207-00-X
PubChem CID
11138158

Physical-chemical properties

Molecular Formula
C12H26O2
Molar Mass
202.33 g/mol
IUPAC Name
3,3-bis(methoxymethyl)-2,5-dimethylhexane

Chemical Identifiers

InChI
InChI=1S/C12H26O2/c1-10(2)7-12(8-13-5,9-14-6)11(3)4/h10-11H,7-9H2,1-6H3
InChI Key
RGHIYOCUMCUWAQ-UHFFFAOYSA-N

Overview

3,3-bis(methoxymethyl)-2,5-dimethylhexane (CAS 129228-21-3) is a branched aliphatic ether compound with methoxymethyl functional groups and moderate skin irritation properties. This specialized organic compound features a complex hexane backbone with multiple methyl substituents and two methoxymethyl groups attached at the 3-position, creating a highly branched molecular structure. With a molecular formula of C12H26O2 and molecular weight of 202.33 g/mol, this ether derivative exhibits unique chemical properties that make it valuable in various industrial applications. The compound is classified under EC number 430-800-9 and falls within the broader family of branched alkyl ethers, sharing structural similarities with related compounds such as 3,3-bis(methoxymethyl)-2,6-dimethylheptane, which features an extended carbon chain. From a safety perspective, 3,3-bis(methoxymethyl)-2,5-dimethylhexane is classified as a skin irritant (Skin Irrit. 2) and presents chronic aquatic toxicity concerns (Aquatic Chronic 2), requiring appropriate handling precautions. The substance carries GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate hazard levels. Transportation classification under ADR Class 9 designates it as a miscellaneous dangerous substance requiring proper shipping protocols. Industrial applications typically include use as a specialty solvent in chemical synthesis, an intermediate in the production of surfactants and emulsifiers, and as a component in specialized formulations requiring controlled volatility characteristics. The compound's branched structure and ether functionality provide unique solubility properties and chemical stability under specific reaction conditions. OYSI maintains reliable supply chains for 3,3-bis(methoxymethyl)-2,5-dimethylhexane to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H411

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 Name2-Isobutyl-2-isopropyl-1,3-dimethoxypropan, nicht ätzend
Marine PollutantNo

Frequently Asked Questions

What is 3,3-bis(methoxymethyl)-2,5-dimethylhexane?

3,3-bis(methoxymethyl)-2,5-dimethylhexane is an organic chemical compound with the molecular formula C12H26O2 and a molecular weight of 202.33 g/mol. This substance belongs to the class of substituted alkanes featuring two methoxymethyl groups attached to a dimethylhexane backbone. It is identified by CAS number 129228-21-3 and is classified as a skin irritant with potential chronic aquatic toxicity, requiring careful handling in industrial applications.

What are the physicochemical properties of 3,3-bis(methoxymethyl)-2,5-dimethylhexane?

3,3-bis(methoxymethyl)-2,5-dimethylhexane is a branched aliphatic compound with two ether functional groups that likely influence its solubility characteristics. The molecular structure suggests it may have moderate volatility and lipophilic properties typical of substituted hydrocarbons. The presence of methoxymethyl groups may provide some polar character, potentially affecting its solubility in various solvents. Specific physical properties such as boiling point, density, and exact solubility parameters would require detailed technical documentation.

What is 3,3-bis(methoxymethyl)-2,5-dimethylhexane used for?

3,3-bis(methoxymethyl)-2,5-dimethylhexane is typically used as a specialty chemical intermediate in organic synthesis and pharmaceutical manufacturing. Its unique molecular structure with methoxymethyl protecting groups makes it valuable in complex chemical transformations. The compound may serve as a building block in the synthesis of more complex molecules or as a specialized solvent in specific industrial processes. Its applications are generally limited to professional and industrial use due to its specialized nature and safety classification.

How to handle 3,3-bis(methoxymethyl)-2,5-dimethylhexane safely?

3,3-bis(methoxymethyl)-2,5-dimethylhexane must be handled with appropriate personal protective equipment due to its Skin Irritant 2 classification. Essential safety measures include wearing chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid direct contact with skin and eyes, and ensure proper hygiene practices including thorough handwashing after handling. Emergency eyewash and safety shower facilities should be readily accessible.

How to store 3,3-bis(methoxymethyl)-2,5-dimethylhexane correctly?

3,3-bis(methoxymethyl)-2,5-dimethylhexane should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Storage areas must be designed to prevent environmental release due to its Aquatic Chronic 2 classification. Keep containers upright and clearly labeled with appropriate hazard warnings including GHS07 and GHS09 pictograms. Storage should comply with local chemical storage regulations and be separated from incompatible materials. Regular inspection of containers for leaks or damage is essential.

What to do in case of contact with 3,3-bis(methoxymethyl)-2,5-dimethylhexane?

Immediate skin contact with 3,3-bis(methoxymethyl)-2,5-dimethylhexane requires prompt removal of contaminated clothing and thorough washing of affected areas with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If irritation persists or develops, seek medical attention promptly. In case of inhalation, move the person to fresh air and monitor breathing. Remove contaminated clothing and wash before reuse. Always consult safety data sheets for complete first aid procedures.

How to dispose of 3,3-bis(methoxymethyl)-2,5-dimethylhexane properly?

3,3-bis(methoxymethyl)-2,5-dimethylhexane must be disposed of through licensed hazardous waste management facilities in accordance with local and European waste regulations. Due to its aquatic toxicity classification, it cannot be discharged into sewers, waterways, or soil. Small quantities may require specialized chemical waste collection, while larger amounts need professional hazardous waste disposal services. Empty containers should also be treated as hazardous waste. Always consult local environmental authorities for specific disposal requirements and approved waste management contractors.

How to transport 3,3-bis(methoxymethyl)-2,5-dimethylhexane?

3,3-bis(methoxymethyl)-2,5-dimethylhexane is classified as ADR Class 9, Packing Group III, indicating it is a miscellaneous dangerous substance with relatively lower hazard for transport. Packaging must comply with UN specifications for Class 9 materials and bear appropriate hazard labels and markings. Transport documentation must include proper shipping names and hazard classifications. Vehicles should carry appropriate emergency equipment and drivers must hold valid ADR certification. Shipments must follow designated routes and comply with tunnel restrictions where applicable.

Is 3,3-bis(methoxymethyl)-2,5-dimethylhexane subject to specific regulations?

3,3-bis(methoxymethyl)-2,5-dimethylhexane is subject to European REACH regulation requiring registration for manufacture or import above certain tonnages. It falls under CLP classification as Skin Irritant 2 and Aquatic Chronic 2, requiring appropriate labeling with Warning signal word and GHS07/GHS09 pictograms. The substance is not currently listed as SVHC (Substance of Very High Concern). Companies handling this chemical must ensure compliance with occupational health regulations, environmental protection laws, and maintain safety data sheets in accordance with European standards.

Where to buy 3,3-bis(methoxymethyl)-2,5-dimethylhexane in Europe?

3,3-bis(methoxymethyl)-2,5-dimethylhexane is available through OYSI, a specialized European distributor of technical chemicals serving professional and industrial customers. As a specialty chemical with specific safety requirements, it is typically available to qualified industrial users with appropriate handling capabilities and regulatory compliance. Purchasing requires adherence to chemical distribution regulations and may involve technical consultation regarding handling and application requirements. Contact OYSI directly for availability, technical specifications, and compliance documentation for your specific industrial application.

Data Sources

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