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 cyclohexane ring structure and pentyl substituent chain. This specialized organic compound belongs to the family of cyclohexanone derivatives, characterized by its eleven-carbon structure combining a six-membered saturated ring with a five-carbon alkyl chain. With a molecular weight of 168.28 g/mol and formula C11H20O, 4-pentylcyclohexan-1-one exhibits the typical properties of medium-chain ketones while maintaining enhanced lipophilicity due to its extended alkyl substitution. The compound's primary safety consideration relates to its environmental impact classification as Aquatic Chronic 2 under GHS regulations, requiring careful handling to prevent aquatic ecosystem contamination. Transport classification under ADR Class 9 indicates it as a miscellaneous dangerous substance, necessitating appropriate packaging and documentation for shipping. The GHS09 pictogram emphasizes its environmental hazard profile, making proper waste management and spill prevention essential in industrial applications. Industrial applications of 4-pentylcyclohexan-1-one typically include use as an intermediate in organic synthesis, particularly in the production of specialty chemicals and pharmaceutical precursors. The compound serves as a valuable building block in fragrance and flavor chemistry, where its ketone functionality and hydrophobic character contribute to desired olfactory profiles. Additionally, it finds application in polymer chemistry and materials science as a reactive intermediate. While structurally distinct from complex molecules like 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, both compounds demonstrate the importance of precise molecular architecture in determining chemical properties and applications. OYSI maintains reliable supply chains for 4-pentylcyclohexan-1-one, ensuring consistent availability for European industrial customers requiring this specialized ketone 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 CAS number 61203-83-6. This cyclic ketone features a six-membered cyclohexane ring with a ketone functional group at position 1 and a pentyl chain substituent at position 4. With a molecular weight of 168.28 g/mol, it 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 typical ketone characteristics. As a moderately lipophilic molecule due to its long alkyl chain, it exhibits limited water solubility but good solubility in organic solvents. The compound likely has a characteristic ketone odor and appears as a clear to pale yellow liquid, though specific physical constants may vary depending on purity and conditions.

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

4-pentylcyclohexan-1-one is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its ketone functionality makes it valuable for condensation reactions, reduction processes, and as a building block for more complex molecules. The compound may also find applications in fragrance chemistry, specialty chemical production, and as a solvent or processing aid in specific industrial formulations.

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

4-pentylcyclohexan-1-one should be handled with standard laboratory safety precautions including wearing nitrile gloves, safety goggles, and appropriate protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation of vapors. While no specific signal word is assigned, treat as a potentially irritating organic solvent. Avoid contact with skin and eyes, and prevent environmental release due to its Aquatic Chronic 2 classification.

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

4-pentylcyclohexan-1-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and protected from physical damage. Store away from strong oxidizing agents and bases that could react with the ketone group. Maintain storage areas with appropriate spill containment measures to prevent environmental contamination, considering its aquatic toxicity classification.

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. For eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse.

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

4-pentylcyclohexan-1-one must be disposed of according to local, national, and international waste regulations as hazardous chemical waste. Due to its Aquatic Chronic 2 classification, prevent environmental release and never dispose of down drains or into water systems. Contact licensed waste disposal companies for proper treatment, which may include incineration at appropriate facilities or recovery through specialized chemical waste processing. Maintain disposal documentation for regulatory compliance.

How to transport 4-pentylcyclohexan-1-one?

4-pentylcyclohexan-1-one is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling with GHS09 pictogram, and documentation according to dangerous goods regulations. Containers must be properly sealed and secured during transport. Drivers and handlers should be trained in dangerous goods procedures, and emergency response information must accompany shipments.

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 is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with environmental protection measures due to its aquatic toxicity classification and follow proper waste management procedures. Industrial users should maintain safety data sheets and implement appropriate risk management measures.

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

4-pentylcyclohexan-1-one is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides this compound with complete documentation including safety data sheets and certificates of analysis. As a professional chemical supplier, OYSI ensures proper packaging, labeling, and regulatory compliance for safe delivery to qualified industrial users and research institutions throughout European markets.

Data Sources

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