para-tert-butyl cyclohexanone

Para-tert-butyl cyclohexanone is a bicyclic ketone aromatic compound with the molecular formula C₁₀H₁₈O. It presents as a colorless to pale yellow liquid with a characteristic woody, minty scent reminiscent of patchouli. It belongs to the chemical family of substituted cyclohexanones and is also known by various synonyms including 4-tert-butylcyclohexanone, patchouli ketone, and PTBP. The compound is synthesized synthetically and is widely utilized in fragrance chemistry. For further chemical details, see the PubChem entry. Its distinct aromatic character and chemical stability make it a valued ingredient sourced primarily through synthetic organic chemistry.

Para-tert-butyl cyclohexanone is not commonly found in nature but is a synthetic aromatic ingredient used primarily in fragrance applications. It imparts a strong woody, minty, and patchouli-like odor, making it suitable for blending in perfumes, personal care products, and fine fragrances. Its olfactory profile supports notes such as balsam, cedar, and musk, which enhance aromatic complexity. Usage in perfumery is guided by the International Fragrance Association (IFRA) standards (Global), which recommend concentration limits to ensure safety and skin compatibility. Its role is predominantly as a perfuming agent rather than a flavoring ingredient due to regulatory restrictions.

Para-tert-butyl cyclohexanone exhibits physical properties that influence its formulation and handling. It has a molecular weight of approximately 154.25 g/mol and a melting point range between 44 and 50°C at atmospheric pressure. The compound boils between 224 and 225°C under standard pressure and shows a vapor pressure of about 0.088 mmHg at 25°C, indicating low volatility at ambient conditions. It has moderate lipophilicity, with an estimated log P of 2.63, contributing to its solubility in organic solvents like alcohols and slight solubility in water at roughly 239.8 mg/L at 25°C. The flash point is reported at 192°F (approximately 89°C), indicating relatively low flammability risk in typical handling environments. These properties support its use in fragranced formulations requiring substantive woody notes and chemical stability.

	4-tert-butylcyclohexan-1-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	98-53-3
Pubchem (cid):	7392
Pubchem (sid):	134971303

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
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(IUPAC):	Periodic Table of the Elements
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Export Tariff Code:	2914.29.5000
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Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975.
Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975.
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for para-tert-butyl cyclohexanone usage levels up to:
	5.0000 % in the fragrance concentrate.
Recommendation for para-tert-butyl cyclohexanone flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

AIDS Citations:Search

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Toxicology Citations:Search

EPA Substance Registry Services (TSCA):98-53-3

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :7392

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

4-tert-butylcyclohexan-1-one

Chemidplus:0000098533

RTECS:GW1140000 for cas# 98-53-3