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4-methyl-3-cyclohexene-1-carboxylic acid

4-methyl-3-cyclohexene-1-carboxylic acid is a cyclic carboxylic acid notable for its sweaty, cuminic aroma and use as a fragrance agent.

General Material Description

4-methyl-3-cyclohexene-1-carboxylic acid is a cyclic unsaturated carboxylic acid with the molecular formula C8H12O2. It is recognized for a distinctive sweaty and cuminic odor profile, presenting fresh castoreum undertones with stronger cedar-like nuances upon drying. Also known by synonyms such as 3-cyclohexene-1-carboxylic acid, 4-methyl-, this compound appears as a colorless to pale liquid. It is sourced mainly through synthetic organic chemical processes. Detailed chemical information is available via controlled vocabulary databases such as PubChem. Its unique scent attributes underpin its classification as a fragrance agent in various applications.

Occurrence, Applicability & Potential Uses

This compound naturally occurs or is derived through synthetic routes often aimed at mimicking or enhancing aroma profiles related to animalic and woody scents. The fragrant properties of 4-methyl-3-cyclohexene-1-carboxylic acid find application mainly in the formulation of perfumes and related fragrance products. Regulatory frameworks such as IFRA (Global) govern its use to ensure safe incorporation within scent mixtures. Notably, this acid is not approved for use as a flavoring agent, highlighting its specialized role in olfactory compositions rather than food applications.

Physico-Chemical Properties Summary

4-methyl-3-cyclohexene-1-carboxylic acid presents moderate polarity consistent with its carboxylic acid group and unsaturated cyclic ring. It has a molecular weight of approximately 140.18 g/mol and exhibits an estimated log P value of around 1.20, indicating balanced hydrophilic and lipophilic character. The compound is soluble in water at an estimated 1050 mg/L at 25 °C, which supports its integration into aqueous and semi-aqueous formulations. Its chemical stability and volatility contribute to its efficacy as a fragrance component, releasing characteristic odor notes upon evaporation. The absence of significant hazard classifications facilitates routine handling under standard laboratory conditions.

FAQ

What is 4-methyl-3-cyclohexene-1-carboxylic acid and what are its primary characteristics?
4-methyl-3-cyclohexene-1-carboxylic acid is a cyclic unsaturated carboxylic acid used mainly as a fragrance ingredient. It is characterized by a distinctive sweaty and cuminic odor with fresh castoreum undertones and cedar-like nuances upon drying. The molecular formula is C8H12O2, and it is typically a colorless to pale liquid. This compound is synthesized for use in scent formulations due to its unique aromatic properties.
Where is 4-methyl-3-cyclohexene-1-carboxylic acid used, and how is it regulated?
This acid is utilized primarily in the fragrance industry to impart sweaty, woody, and animalic accords in perfumes and scented products. Its use is subject to safety guidelines established by IFRA (International Fragrance Association) on a global scale, which regulate concentration limits to ensure consumer safety. The compound is not approved for flavoring applications and must be incorporated in compliance with fragrance standards that manage exposure risks.
Are there any safety concerns or handling precautions for 4-methyl-3-cyclohexene-1-carboxylic acid?
Available safety data indicate that 4-methyl-3-cyclohexene-1-carboxylic acid has no classified hazards under OSHA HCS standards. Toxicological data are limited, with no established oral, dermal, or inhalation toxicity levels. Despite the absence of specific hazard statements, standard laboratory safety practices are recommended when handling the substance. Detailed safety information and material safety data sheets are accessible through chemical suppliers and regulatory databases.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.20.5000
ChemSpider:View

General Material Information

Trivial Name 4-methyl-3-cyclohexene-1-carboxylic acid
Short Description 3-cyclohexene-1-carboxylic acid, 4-methyl-
Formula C8 H12 O2
CAS Number 4342-60-3
FDA UNII Search
Nikkaji Number J624.033J
MDL MFCD02238356
xLogP3-AA 1.20 (est)
NMR Predictor External link
Synonyms
  • 3-cyclohexene-1-carboxylic acid, 4-methyl-
  • 4-methylcyclohex-3-ene-1-carboxylic acid

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.18203735352
Solubility
water, 1050 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Sweaty
sweaty, cumin, castoreum, cedar, leathery
General comment At 100.00 %. sweaty, cuminic aroma with castoreum under tones (fresh) with sweaty, strong cuminic cedar like aroma nuances on dryout

Safety Information

Safety information

Preferred SDS: View
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:
Not determined
Dermal Toxicity:
Not determined
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 4-methyl-3-cyclohexene-1-carboxylic acid flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20350
National Institute of Allergy and Infectious Diseases:Data
4-methylcyclohex-3-ene-1-carboxylic acid
Chemidplus:0004342603