2,4-ditert-butylcyclohexan-1-one
C14H26O
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Identification
- CAS Number
- 13019-04-0
- EC Number
- 405-340-7
- UN Number
- 3077
- Index Number
- 606-043-00-7
- PubChem CID
- 114442
Physical-chemical properties
- Molecular Formula
- C14H26O
- Molar Mass
- 210.36 g/mol
- IUPAC Name
- 2,4-ditert-butylcyclohexan-1-one
Chemical Identifiers
- InChI
- InChI=1S/C14H26O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h10-11H,7-9H2,1-6H3
- InChI Key
- NYOHMJCUHOBGBN-UHFFFAOYSA-N
Overview
2,4-ditert-butylcyclohexan-1-one (CAS 13019-04-0) is a cyclic ketone compound with two tertiary butyl substituents providing enhanced steric hindrance and chemical stability. This specialized organic compound belongs to the family of substituted cyclohexanones, characterized by its distinctive molecular structure featuring two bulky tert-butyl groups at positions 2 and 4 of the cyclohexane ring. With a molecular formula of C14H26O and molecular weight of 210.36 g/mol, this ketone exhibits unique properties derived from its sterically hindered configuration. The presence of the tertiary butyl groups significantly influences both its reactivity patterns and physical characteristics, making it valuable for specific industrial applications where controlled reactivity is essential. From a safety perspective, 2,4-ditert-butylcyclohexan-1-one is classified as a skin irritant (Category 2) and presents chronic aquatic toxicity concerns (Category 2), requiring appropriate handling precautions in industrial settings. The compound carries GHS pictograms GHS07 and GHS09, indicating both health hazards and environmental concerns. Its ADR classification as Class 9 (miscellaneous dangerous goods) necessitates proper packaging and transportation protocols. Industrial applications typically include its use as a chemical intermediate in organic synthesis, particularly in the development of specialized polymers and advanced materials where steric bulk is advantageous. The compound also finds application in fragrance chemistry and as a precursor for pharmaceutically active compounds. Its structural relationship to compounds such as 3,3-bis(methoxymethyl)-2,6-dimethylheptane highlights its position within the broader category of sterically hindered organic molecules used in fine chemical synthesis. OYSI maintains reliable supply channels for 2,4-ditert-butylcyclohexan-1-one to support European industrial customers requiring this specialized chemical intermediate.
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 2,4-Di-tert-butylcyclohexanon |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2,4-ditert-butylcyclohexan-1-one?
2,4-ditert-butylcyclohexan-1-one is an organic ketone compound with the molecular formula C14H26O and CAS number 13019-04-0. This cyclohexanone derivative features two tert-butyl substituents at positions 2 and 4 of the cyclohexane ring. With a molecular weight of 210.36 g/mol, it belongs to the family of substituted cyclohexanones and is classified as a skin irritant and aquatic chronic hazard substance under GHS regulations.
What are the physicochemical properties of 2,4-ditert-butylcyclohexan-1-one?
2,4-ditert-butylcyclohexan-1-one is a ketone compound with molecular formula C14H26O and molecular weight 210.36 g/mol. As a substituted cyclohexanone, it typically exists as a liquid at room temperature with characteristic ketone properties. The presence of bulky tert-butyl groups influences its physical properties including solubility, boiling point, and steric interactions. Its ketone functional group makes it reactive towards nucleophiles and reducing agents.
What is 2,4-ditert-butylcyclohexan-1-one used for?
2,4-ditert-butylcyclohexan-1-one serves as an intermediate in organic synthesis and chemical manufacturing processes. Its ketone functionality and substituted cyclohexane structure make it valuable for pharmaceutical synthesis, specialty chemical production, and research applications. The compound may be used in the development of fragrances, polymer additives, or as a building block for more complex organic molecules in fine chemical synthesis.
How to handle 2,4-ditert-butylcyclohexan-1-one safely?
2,4-ditert-butylcyclohexan-1-one requires careful handling due to its skin irritant properties (Skin Irrit. 2). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation when working with this substance. Avoid direct skin and eye contact. Work in a well-ventilated area or under fume hood extraction. Follow GHS07 pictogram warnings and maintain proper hygiene practices during handling.
How to store 2,4-ditert-butylcyclohexan-1-one correctly?
2,4-ditert-butylcyclohexan-1-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers properly labeled and store away from incompatible materials such as strong oxidizing agents and reducing agents. Ensure storage areas comply with local regulations for Class 9 miscellaneous dangerous goods. Maintain appropriate temperature controls and implement proper inventory management procedures.
What to do in case of contact with 2,4-ditert-butylcyclohexan-1-one?
In case of skin contact with 2,4-ditert-butylcyclohexan-1-one, 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 irritation persists, seek medical attention. In case of inhalation, move to fresh air immediately. Always consult the safety data sheet and seek medical advice if symptoms develop.
How to dispose of 2,4-ditert-butylcyclohexan-1-one properly?
2,4-ditert-butylcyclohexan-1-one must be disposed of according to local and national environmental regulations as it poses aquatic chronic hazards (Aquatic Chronic 2). Contact licensed waste disposal companies specializing in hazardous chemical waste. Do not discharge into drains, waterways, or soil. Small quantities may be suitable for incineration at authorized high-temperature facilities. Always consult your safety data sheet and local environmental authorities for specific disposal requirements.
How to transport 2,4-ditert-butylcyclohexan-1-one?
2,4-ditert-butylcyclohexan-1-one is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging suitable for Class 9 substances and ensure proper hazard labels are displayed. Transport vehicles must comply with ADR requirements and drivers need appropriate training for dangerous goods transport.
Is 2,4-ditert-butylcyclohexan-1-one subject to special regulations?
2,4-ditert-butylcyclohexan-1-one is subject to standard chemical regulations under REACH and CLP in Europe but is not classified as a Substance of Very High Concern (SVHC). It requires safety data sheet provision and appropriate classification labeling with Warning signal word and GHS07/GHS09 pictograms. Users must comply with occupational health regulations and environmental protection measures due to its skin irritant and aquatic chronic hazard properties.
Where to buy 2,4-ditert-butylcyclohexan-1-one in Europe?
2,4-ditert-butylcyclohexan-1-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers, research institutions, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for the supply of this specialty organic compound. Contact OYSI directly for availability, technical specifications, and ordering information.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.