3,3-bis(methoxymethyl)-2,6-dimethylheptane
C13H28O2
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Identification
- CAS Number
- 129228-11-1
- EC Number
- 406-970-5
- UN Number
- 3082
- Index Number
- 603-145-00-3
- PubChem CID
- 10867702
Physical-chemical properties
- Molecular Formula
- C13H28O2
- Molar Mass
- 216.36 g/mol
- IUPAC Name
- 3,3-bis(methoxymethyl)-2,6-dimethylheptane
Chemical Identifiers
- InChI
- InChI=1S/C13H28O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4/h11-12H,7-10H2,1-6H3
- InChI Key
- BHPDSAAGSUWVMP-UHFFFAOYSA-N
Overview
3,3-bis(methoxymethyl)-2,6-dimethylheptane (CAS 129228-11-1) is a branched aliphatic ether compound with specialized industrial applications requiring controlled handling protocols. This synthetic organic compound features a complex molecular structure characterized by a seven-carbon backbone with multiple methyl substitutions and two methoxymethyl functional groups at the 3-position. With the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol, this substance belongs to the family of substituted alkanes containing ether linkages. The compound's structural complexity, similar to related substances like 3,3-bis(methoxymethyl)-2,5-dimethylhexane, contributes to its specific performance characteristics in industrial applications. From a safety perspective, this material is classified as a skin irritant (Category 2) and poses chronic aquatic toxicity concerns (Category 2), requiring appropriate handling measures and environmental considerations. The GHS07 and GHS09 pictograms indicate both health hazards and environmental risks, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. Users must implement proper personal protective equipment and follow established safety protocols during handling and storage. Industrial applications typically include use as an intermediate in organic synthesis, as a specialty solvent in formulation chemistry, and as a component in advanced material manufacturing processes where its unique structural properties provide specific performance benefits. The compound's branched structure and ether functionality make it valuable in applications requiring controlled reactivity and specific solubility characteristics. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality technical grade materials.
Safety & Classification
Skin Irrit. 2; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 2-Isopropyl-2-(1-methylbutyl)-1,3-dimethoxypropan |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3,3-bis(methoxymethyl)-2,6-dimethylheptane?
3,3-bis(methoxymethyl)-2,6-dimethylheptane is a synthetic organic compound with the molecular formula C13H28O2 and CAS number 129228-11-1. This branched aliphatic ether features a heptane backbone with two methoxymethyl substituents at the 3-position and methyl groups at positions 2 and 6. With a molecular weight of 216.36 g/mol, it belongs to the class of substituted alkanes containing ether functional groups.
What are the physicochemical properties of 3,3-bis(methoxymethyl)-2,6-dimethylheptane?
3,3-bis(methoxymethyl)-2,6-dimethylheptane is a liquid organic compound at room temperature due to its molecular structure and weight. As a branched alkane with ether groups, it exhibits moderate volatility and lipophilic characteristics. The presence of methoxy groups provides some polarity while maintaining overall hydrophobic properties. Specific physical parameters like boiling point, density, and viscosity would require detailed analytical characterization for precise determination.
What is 3,3-bis(methoxymethyl)-2,6-dimethylheptane used for?
3,3-bis(methoxymethyl)-2,6-dimethylheptane serves as a specialty chemical intermediate in organic synthesis and industrial applications. Its unique branched structure with ether functionalities makes it suitable for use as a building block in pharmaceutical chemistry, fine chemical manufacturing, and materials science. The compound may also function as a solvent or additive in specialized formulations requiring specific molecular properties and chemical stability.
How to handle 3,3-bis(methoxymethyl)-2,6-dimethylheptane safely?
3,3-bis(methoxymethyl)-2,6-dimethylheptane requires careful handling due to its skin irritant properties (Skin Irrit. 2). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid direct skin contact. Use in well-ventilated areas or under fume hoods to minimize inhalation exposure. Follow proper laboratory hygiene practices and have emergency eyewash and safety shower facilities readily available.
How to store 3,3-bis(methoxymethyl)-2,6-dimethylheptane correctly?
3,3-bis(methoxymethyl)-2,6-dimethylheptane should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and properly labeled with hazard information. Store away from incompatible materials such as strong oxidizing agents. Maintain storage temperatures within recommended ranges and ensure secondary containment to prevent environmental release. Regular container inspection is recommended to detect any signs of deterioration or leakage.
What to do in case of contact with 3,3-bis(methoxymethyl)-2,6-dimethylheptane?
In case of skin contact with 3,3-bis(methoxymethyl)-2,6-dimethylheptane, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or develops. Do not induce vomiting if accidentally ingested and seek immediate medical advice.
How to dispose of 3,3-bis(methoxymethyl)-2,6-dimethylheptane appropriately?
3,3-bis(methoxymethyl)-2,6-dimethylheptane must be disposed of according to local, national, and international waste regulations as a hazardous chemical waste. Contact licensed waste disposal companies specializing in organic chemical waste treatment. Do not discharge into drains, soil, or water bodies due to its aquatic chronic toxicity classification. Incineration at authorized high-temperature facilities is typically the preferred disposal method. Maintain proper documentation throughout the disposal process.
How to transport 3,3-bis(methoxymethyl)-2,6-dimethylheptane?
3,3-bis(methoxymethyl)-2,6-dimethylheptane is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation. Use appropriate packaging meeting UN specification requirements for Class 9 materials. Proper shipping documentation including dangerous goods declarations must accompany shipments. Vehicles must display appropriate placards and drivers require ADR certification. Ensure packages are properly labeled with hazard symbols and handling instructions according to international transport regulations.
Is 3,3-bis(methoxymethyl)-2,6-dimethylheptane subject to specific regulations?
3,3-bis(methoxymethyl)-2,6-dimethylheptane is subject to European REACH regulation requiring registration for manufacture or import above certain tonnages. It is not classified as a Substance of Very High Concern (SVHC). The compound falls under CLP regulation with mandatory classification as Skin Irritant Category 2 and Aquatic Chronic Category 2. Suppliers must provide Safety Data Sheets and appropriate labeling with GHS07 and GHS09 pictograms and 'Warning' signal word.
Where to buy 3,3-bis(methoxymethyl)-2,6-dimethylheptane in Europe?
3,3-bis(methoxymethyl)-2,6-dimethylheptane is available through OYSI, a specialized European distributor of fine and specialty chemicals. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance for European markets. As a professional chemical supplier, OYSI ensures proper handling, storage, and delivery of specialty organic compounds to research institutions, pharmaceutical companies, and industrial customers across Europe.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.