4-pentylcyclohexan-1-one

C11H20O

CAS61203-83-6
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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Identification

CAS Number
61203-83-6
EC Number
406-670-4
UN Number
3082
Index Number
606-051-00-0
PubChem CID
566097

Physical-chemical properties

Molecular Formula
C11H20O
Molar Mass
168.28 g/mol
IUPAC Name
4-pentylcyclohexan-1-one

Chemical Identifiers

InChI
InChI=1S/C11H20O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h10H,2-9H2,1H3
InChI Key
UKLNPJDLSPMJMQ-UHFFFAOYSA-N

Overview

4-pentylcyclohexan-1-one (CAS 61203-83-6) is an organic ketone compound with a cyclohexane ring structure bearing a pentyl substituent. This cyclic ketone represents a specialized chemical intermediate widely utilized in various industrial applications. With the molecular formula C11H20O and a molecular weight of 168.28 g/mol, 4-pentylcyclohexan-1-one exhibits the characteristic properties of aliphatic ketones while maintaining structural stability through its six-membered ring configuration. The compound's unique molecular architecture, featuring a pentyl chain attached to the cyclohexanone core, imparts specific solubility and reactivity characteristics that make it valuable in synthetic chemistry applications. From a safety perspective, 4-pentylcyclohexan-1-one is classified as Aquatic Chronic 2 under the GHS system, indicating potential long-term environmental hazards to aquatic life. The compound displays the GHS09 pictogram, emphasizing the need for appropriate environmental protection measures during handling and disposal. As a Class 9 substance under ADR transportation regulations, it requires specific packaging and documentation protocols for safe transport. The compound finds primary applications in fragrance and flavor chemistry, where its ketone functionality contributes to complex aromatic profiles. Additionally, it serves as an important synthetic intermediate in pharmaceutical and fine chemical manufacturing. Its structural characteristics make it particularly useful in applications requiring compounds with both aliphatic and cyclic properties, distinguishing it from simpler aromatic compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, which serves different industrial purposes. OYSI maintains reliable supply chains for 4-pentylcyclohexan-1-one to support European industrial customers requiring this specialized chemical intermediate.

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 Name4-Pentylcyclohexanon
Marine PollutantNo

Frequently Asked Questions

What is 4-pentylcyclohexan-1-one?

4-pentylcyclohexan-1-one is an organic ketone compound with the molecular formula C11H20O and a molecular weight of 168.28 g/mol. This cyclohexanone derivative features a pentyl chain substituent at the 4-position of the cyclohexane ring. It is classified under CAS number 61203-83-6 and belongs to the family of aliphatic-aromatic ketones used in various industrial applications.

What are the physicochemical properties of 4-pentylcyclohexan-1-one?

4-pentylcyclohexan-1-one is a liquid organic compound at room temperature with characteristic ketone properties. As a C11H20O molecule, it exhibits moderate volatility and lipophilic characteristics typical of alkylated cyclohexanones. The compound's physical properties include limited water solubility due to its hydrophobic pentyl chain, while showing good solubility in organic solvents. Its ketone functional group provides distinctive chemical reactivity patterns.

What is 4-pentylcyclohexan-1-one used for?

4-pentylcyclohexan-1-one serves as an intermediate in organic synthesis and chemical manufacturing processes. Its ketone functionality makes it valuable for various chemical transformations including reduction reactions, condensation reactions, and as a building block for more complex molecules. The compound finds applications in specialty chemical production, research and development, and potentially in fragrance or flavor chemistry due to its structural characteristics.

How to handle 4-pentylcyclohexan-1-one safely?

4-pentylcyclohexan-1-one should be handled with standard chemical safety precautions including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to minimize vapor exposure. Avoid direct skin and eye contact, and prevent ingestion. Keep away from ignition sources and ensure proper grounding when transferring the material to prevent static discharge.

How to store 4-pentylcyclohexan-1-one correctly?

4-pentylcyclohexan-1-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers upright and properly labeled with hazard information. Store away from incompatible materials such as strong oxidizers and reducing agents. Ensure storage areas have appropriate spill containment measures and maintain temperatures within recommended ranges to preserve product stability and quality.

What to do in case of contact with 4-pentylcyclohexan-1-one?

In case of skin contact with 4-pentylcyclohexan-1-one, immediately wash the affected area with plenty of soap and water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse immediately with clean water for 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if respiratory irritation occurs. In case of ingestion, do not induce vomiting and seek immediate medical attention.

How to dispose of 4-pentylcyclohexan-1-one appropriately?

4-pentylcyclohexan-1-one must be disposed of in accordance with local, national, and international waste regulations as a chemical waste. Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge into drains, sewers, or the environment due to its Aquatic Chronic 2 classification. Contaminated packaging should be treated as hazardous waste. Maintain proper documentation for waste disposal tracking and regulatory compliance.

How to transport 4-pentylcyclohexan-1-one?

4-pentylcyclohexan-1-one is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. It requires appropriate hazardous goods packaging, labeling, and documentation according to ADR regulations. Shipments must include proper shipping names, UN numbers, and hazard labels. Transportation should be carried out by qualified carriers with appropriate permits and emergency response capabilities for Class 9 materials.

Is 4-pentylcyclohexan-1-one subject to specific regulations?

4-pentylcyclohexan-1-one is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification as Aquatic Chronic 2. It displays the GHS09 environmental hazard pictogram and falls under ADR Class 9 for transport. The substance is not currently listed as an SVHC (Substance of Very High Concern). Users must comply with workplace safety regulations and environmental protection measures according to local legislation.

Where to buy 4-pentylcyclohexan-1-one in Europe?

4-pentylcyclohexan-1-one is available through OYSI, a European distributor specializing in technical chemical products. OYSI provides reliable supply of specialty chemicals with proper documentation, safety data sheets, and regulatory compliance support. As an established European chemical distributor, OYSI ensures quality products meeting industrial standards and can provide technical support for your specific application requirements throughout Europe.

Data Sources

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