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2,4-dimethyl cyclohexyl methyl acetate

2,4-dimethyl cyclohexyl methyl acetate is a medium-strength floral and woody fragrance ingredient used primarily in perfuming agents.
Chemical Structure

General Material Description

2,4-dimethyl cyclohexyl methyl acetate is a synthetic aromatic ester characterized by the molecular formula C11H20O2. Recognized for its floral and woody scent profile with subtle sweet and grapefruit undertones, it exhibits moderate odor strength and a substantivity of approximately four hours at pure concentration. Commonly known under synonyms such as dihydrofloralate (IFF) and cyclohexanemethanol, 2,4-dimethyl-, 1-acetate, this compound is predominantly sourced via chemical synthesis processes tailored for fragrance use. Its presence in perfuming agents is notable due to its versatile odor notes that enhance floral and citrus accords. Reliable chemical and structural information is accessible via databases like PubChem.

Occurrence, Applicability & Potential Uses

While 2,4-dimethyl cyclohexyl methyl acetate does not naturally occur in biological systems, it plays an important role in the fragrance industry as a synthetic aroma compound. Its medium-strength floral and woody odor qualities, complemented by sweet and grapefruit nuances, make it suitable for enhancing fragrances with floral, fruity, herbal, minty, and woody facets. This compound is approved for use as a perfuming agent under the IFRA (Global) standards, which recommend concentration limits up to 20% in fragrance concentrates. It is not intended for flavor applications. Such regulatory frameworks guide its inclusion in consumer and professional fragrance formulations to achieve desired sensory profiles while maintaining compliance.

Physico-Chemical Properties Summary

2,4-dimethyl cyclohexyl methyl acetate displays physical and chemical properties critical to its formulation and application. It has a moderate molecular weight near 184.28 Da and an estimated logP of approximately 3.8, indicating moderate lipophilicity. The compound’s specific gravity ranges from 0.932 to 0.94 at 25°C and exhibits a refractive index between 1.445 and 1.45 at 20°C, relevant for analytical identification. Low vapor pressure around 0.1 mmHg at 25°C underlines its limited volatility, and a flash point near 89°C (192°F) suggests moderate flammability risk. Solubility data reveal good solubility in alcohol, but notably low solubility in water, influencing its behavior in formulations. Stability assessments indicate compatibility with various cosmetic preparation types, including lotions, antiperspirants, shampoos, and detergents, reinforcing its versatility in fragrance use.

FAQ

What is 2,4-dimethyl cyclohexyl methyl acetate and what are its key characteristics?
2,4-dimethyl cyclohexyl methyl acetate is a synthetic chemical compound classified as an aromatic ester with the molecular formula C11H20O2. It is noted for its medium-intensity floral and woody odor, possessing subtle sweet and grapefruit nuances. Common synonyms include dihydrofloralate and cyclohexanemethanol, 2,4-dimethyl-, 1-acetate. It is primarily used as a fragrance ingredient in perfuming agents due to its characteristic aromatic profile.
How is 2,4-dimethyl cyclohexyl methyl acetate typically used, and what standards regulate its application?
This compound is employed mainly in the fragrance industry to impart floral, fruity, herbal, mint, and woody notes in diverse perfuming formulations. IFRA (International Fragrance Association) standards, a global regulatory framework, permit its use up to concentrations of 20% in fragrance concentrates. It is not approved for flavoring uses. Its physical stability in various cosmetic carriers, such as lotions, shampoos, and detergents, supports its widespread applicability in perfumery.
Where can I find official regulatory and safety information for 2,4-dimethyl cyclohexyl methyl acetate?
Authoritative safety and regulatory details are available through resources like the European Chemicals Agency (ECHA) database under EINECS number 266-827-6 and CAS number 67634-22-4. The IFRA Code of Practice provides usage guidelines and concentration limits globally. Additionally, the Research Institute for Fragrance Materials (RIFM) offers safety assessments. Databases such as PubChem and EPA's Substance Registry Services also provide toxicology and chemical data relevant to this substance.

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:2915.39.9050
ChemSpider:View

General Material Information

Preferred name 2,4-dimethyl cyclohexyl methyl acetate
Trivial Name Cyclohexanemethanol, 2,4-dimethyl-, 1-acetate
Short Description dihydrofloralate (IFF)
Formula C11 H20 O2
CAS Number 67634-22-4
ECHA Number 266-827-6
FDA UNII Search
Nikkaji Number J333.257H
xLogP3-AA 3.20 (est)
NMR Predictor External link
Synonyms
  • cyclohexanemethanol, 2,4-dimethyl-, acetate
  • dihydro floralate (IFF)
  • dihydrofloralate (IFF)
  • 2,4-dimethyl cyclohexane methanol acetate
  • (2,4-dimethylcyclohexyl)methyl acetate
  • 2,4-dimethylcyclohexylmethyl acetate
  • floralate dihydro (IFF)
  • 2-phenylpropionaldehyde propyleneglycol acetal
  • (2,4-dimethylcyclohexyl)methyl acetate
  • Cyclohexanemethanol, 2,4-dimethyl-, 1-acetate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 184.27879333496
Specific gravity @ 25 °C
Pounds per Gallon 7.755 to 7.822
Specific gravity @ 20 °C
Pounds per Gallon 7.773 to 7.839
Refractive Index 1.445 to 1.45 @ 20 °C
Vapor Pressure 0.1 mmHg @ 25 °C
Flash Point TCC Value 88.89 °C TCC
logP (o/w) 3.829 est
Solubility
alcohol Yes
water, 21.4 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
floral, woody, carvone, sweet, cortex, grapefruit
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. floral woody carvone sweet cortex grapefruit
General comment Floral, woody carvone, sweet Cortex Aldehyde note with slight grapefruit nuances

Potential Uses

Applications
Odor purposes Floral , Fruit , Grapefruit , Herbal , Mint , Woody
Cosmetic purposes Perfuming agents

Safety Information

Safety information

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 2,4-dimethyl cyclohexyl methyl acetate usage levels up to:
20.0000 % in the fragrance concentrate.
Recommendation for 2,4-dimethyl cyclohexyl methyl acetate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):67634-22-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106746
National Institute of Allergy and Infectious Diseases:Data
(2,4-dimethylcyclohexyl)methyl acetate
Chemidplus:0067634224