1-(2-tert-butylcyclohexyl)oxybutan-2-ol

C14H28O2

CAS139504-68-0
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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Identification

CAS Number
139504-68-0
EC Number
412-300-2
UN Number
3082
Index Number
603-154-00-2
PubChem CID
164422

Physical-chemical properties

Molecular Formula
C14H28O2
Molar Mass
228.37 g/mol
IUPAC Name
1-(2-tert-butylcyclohexyl)oxybutan-2-ol

Chemical Identifiers

InChI
InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChI Key
GQBVHGLNSHPKPG-UHFFFAOYSA-N

Overview

1-(2-tert-butylcyclohexyl)oxybutan-2-ol (CAS 139504-68-0) is a specialized organic compound featuring a cyclohexyl ether structure with distinctive steric properties. This technical chemical compound belongs to the family of substituted cycloalkyl ethers, characterized by its unique molecular architecture combining a tert-butyl-substituted cyclohexyl ring with a butanol chain through an ether linkage. With a molecular formula of C14H28O2 and molecular weight of 228.37 g/mol, this substance exhibits specific physicochemical properties that make it valuable for specialized industrial applications. The compound's structure incorporates significant steric hindrance due to the tert-butyl group on the cyclohexyl ring, which influences its reactivity and stability profile. From a safety perspective, 1-(2-tert-butylcyclohexyl)oxybutan-2-ol is classified under Aquatic Chronic 2 hazard category and requires GHS09 pictogram labeling, indicating potential long-term environmental effects on aquatic life. The substance falls under ADR Class 9 for transportation purposes, designating it as a miscellaneous dangerous good requiring appropriate handling protocols. Primary industrial applications include its use as a specialty solvent in formulation chemistry, where its unique molecular structure provides specific dissolution properties. The compound also finds application in advanced polymer synthesis and as an intermediate in the production of specialized chemical products. Unlike structurally different compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, this ether-based molecule offers distinct advantages in applications requiring controlled polarity and steric selectivity. OYSI provides reliable access to 1-(2-tert-butylcyclohexyl)oxybutan-2-ol with comprehensive technical documentation and regulatory compliance support for European industrial customers.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name1-[(2-tert-Butyl)cyclohexyl-oxy]-2-butanol
Marine PollutantNo

Frequently Asked Questions

What is 1-(2-tert-butylcyclohexyl)oxybutan-2-ol?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol is an organic compound with the molecular formula C14H28O2 and CAS number 139504-68-0. This chemical substance has a molecular weight of 228.37 g/mol and features a complex structure combining a cyclohexyl ring with tert-butyl substitution and a butanol chain. It is classified as having chronic aquatic toxicity (Aquatic Chronic 2) and requires appropriate environmental precautions during handling and disposal.

What are the physicochemical properties of 1-(2-tert-butylcyclohexyl)oxybutan-2-ol?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol is a liquid organic compound at room temperature with a molecular weight of 228.37 g/mol. The substance contains both ether and alcohol functional groups, which influence its solubility characteristics. As a moderately complex organic molecule with both polar and non-polar regions, it likely exhibits limited water solubility but good solubility in organic solvents. Specific physical properties such as boiling point and density require laboratory analysis for precise determination.

What is 1-(2-tert-butylcyclohexyl)oxybutan-2-ol used for?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol is primarily used as a specialty chemical intermediate in industrial applications. Its unique molecular structure, combining cyclohexyl and butanol functionalities, makes it suitable for use in chemical synthesis processes, potentially as a solvent or reagent in specialized manufacturing. The compound may also find applications in research and development activities where its specific chemical properties are required for particular reactions or formulations.

How to handle 1-(2-tert-butylcyclohexyl)oxybutan-2-ol safely?

Safe handling of 1-(2-tert-butylcyclohexyl)oxybutan-2-ol requires standard chemical safety precautions including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and laboratory coats. Work in well-ventilated areas or under fume extraction to minimize inhalation exposure. Avoid direct skin and eye contact, and prevent environmental release due to its aquatic toxicity classification. Ensure proper training on chemical handling procedures and emergency response protocols before use.

How to store 1-(2-tert-butylcyclohexyl)oxybutan-2-ol correctly?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use properly labeled, sealed containers made of compatible materials to prevent contamination and evaporation. Store separately from incompatible substances and ensure secondary containment to prevent environmental release. Maintain storage areas with appropriate temperature control and fire prevention measures, following local regulations for chemical storage facilities.

What to do in case of contact with 1-(2-tert-butylcyclohexyl)oxybutan-2-ol?

In case of skin contact with 1-(2-tert-butylcyclohexyl)oxybutan-2-ol, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for specific first aid measures.

How to dispose of 1-(2-tert-butylcyclohexyl)oxybutan-2-ol appropriately?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol must be disposed of as hazardous waste due to its aquatic toxicity classification. Contact licensed hazardous waste disposal companies that can handle organic chemical waste according to local and EU regulations. Never dispose of this substance down drains, in soil, or with regular waste. Maintain proper documentation of waste disposal activities and ensure containers are properly labeled before collection by authorized waste management services.

How to transport 1-(2-tert-butylcyclohexyl)oxybutan-2-ol?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging suitable for liquid organic substances and ensure proper hazard identification during transport. Drivers must possess appropriate dangerous goods training certification, and vehicles should carry required safety equipment and emergency response information.

Is 1-(2-tert-butylcyclohexyl)oxybutan-2-ol subject to specific regulations?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol is subject to EU REACH regulation requiring registration for manufacture or import above certain tonnage thresholds. The substance falls under CLP regulation for classification and labeling due to its Aquatic Chronic 2 hazard class, requiring GHS09 environmental pictogram. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational safety regulations and environmental protection requirements applicable to hazardous chemicals.

Where to buy 1-(2-tert-butylcyclohexyl)oxybutan-2-ol in Europe?

1-(2-tert-butylcyclohexyl)oxybutan-2-ol is available through OYSI, a professional European distributor of specialty chemicals. OYSI provides this compound to industrial customers, research institutions, and qualified buyers across Europe with appropriate documentation and regulatory compliance. As a specialized chemical substance, procurement requires proper business credentials and intended use declaration. Contact OYSI directly for availability, technical specifications, and ordering information for this specialty chemical product.

Data Sources

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