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2-methyl undecanal dimethyl acetal
2-methyl undecanal dimethyl acetal is an aldehydic fragrance compound featuring amber, citrus, and woody aroma notes used primarily in perfuming agents.
General Material Description
2-methyl undecanal dimethyl acetal, also known by trivial names such as 1,1-dimethoxy-2-methylundecane, is a synthetic aldehyde acetal compound with the molecular formula C14H30O2. Classified as an aldehydic fragrance material, it presents a complex sensory profile combining aldehydic, amber, lemon, and woody characteristics. The compound appears as a clear liquid, widely used in the fragrance industry for its distinctive scent properties. Standardized chemical identification includes CAS number 68141-17-3 and ECHA pre-registration number 268-839-7. This compound can be sourced through synthetic organic routes designed to produce stable acetal derivatives of methyl undecanal. PubChem provides detailed chemical information under CID 109183, contributing to standardized reference data for industry and regulatory purposes.
Occurrence, Applicability & Potential Uses
2-methyl undecanal dimethyl acetal does not occur naturally but is synthesized for use primarily as a fragrance ingredient. In perfumery, it serves to impart aldehydic, amber, citrus, green, herbal, incense, lemon, and woody notes, enhancing complex scent blends. This acetal is valued for its high substantivity, retaining aromatic qualities over extended periods. It is included in fragrance materials monitored under standards such as IFRA (International Fragrance Association, Global), which governs recommended usage levels and safety guidelines. Its recommended maximum concentration in fragrance concentrates is 1.0%, according to IFRA standards. There are no recognized flavor uses for this compound due to its designation and regulatory status.
Physico-Chemical Properties Summary
2-methyl undecanal dimethyl acetal is a moderately hydrophobic molecule with an estimated logP of approximately 4.9, indicating substantial lipid solubility. It has a molecular weight close to 230 g/mol and demonstrates a low vapor pressure around 0.025 mmHg at 25°C, suggesting limited volatility and enhanced persistence in formulations. The refractive index ranges between 1.425 and 1.44 at 20°C, typical for fragrance raw materials. Its specific gravity is measured between 0.83 and 0.87 at 25°C. The compound shows solubility in alcohols and slight water solubility estimated at 1.445 mg/L at 25°C, but it is generally insoluble in water itself. Stability tests indicate compatibility with alkalis, amines, and ammonia under typical conditions. The flash point is approximately 93°C (200°F), indicating moderate flammability risk under elevated temperature conditions. These properties influence formulation decisions, especially concerning solvent selection and product stability.
FAQ
What is 2-methyl undecanal dimethyl acetal and what are its main characteristics?
2-methyl undecanal dimethyl acetal is a synthetic aldehydic fragrance compound chemically identified as 1,1-dimethoxy-2-methylundecane. It exhibits a high-strength aldehydic odor with complex notes including amber, lemon, green, and woody facets. Its molecular formula is C14H30O2, and it appears as a clear liquid used mainly in perfumery. The compound is recognized by CAS number 68141-17-3 and is characterized by low volatility and a moderate flash point.
How is 2-methyl undecanal dimethyl acetal used, and what are its typical applications?
This compound is primarily employed as a fragrance agent adding aldehydic and woody accents to perfumes and scented products. It contributes to odor profiles described as green, herbal, and balsamic with citrus and incense undertones. Manufacturers use it in formulation levels up to 1.0% in fragrance concentrates as per IFRA guidelines. It is not used for flavoring purposes. Its long-lasting substantivity and solubility in alcohol make it suitable for various perfume bases.
What regulations and safety standards apply to 2-methyl undecanal dimethyl acetal?
2-methyl undecanal dimethyl acetal is regulated under fragrance industry standards including IFRA (Global), which recommends maximum usage at 1.0% concentration in fragrance oils. Safety testing indicates low acute toxicity with oral and dermal LD50 values exceeding 5000 mg/kg in animal studies. The substance is classified with no significant hazards under OSHA HCS (US) and lacks associated precautionary statements. It is not approved for food flavor use. Industry safety assessments such as RIFM provide detailed evaluations and usage recommendations.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| NCBI | Start search |
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: | 2911.00.5000 |
| ChemSpider: | View |
General Material Information
| Preferred name | 2-methyl undecanal dimethyl acetal |
| Trivial Name | 1,1-Dimethoxy-2-methylundecane |
| Short Description | aldehyde NMA DMA |
| Formula | C14 H30 O2 |
| CAS Number | 68141-17-3 |
| ECHA Number | 268-839-7 |
| FDA UNII | Search |
| Nikkaji Number | J260.944D |
| xLogP3-AA | 5.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 230.39149475098 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.906 to 7.239 |
| Refractive Index | 1.425 to 1.44 @ 20 °C |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 0.025 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 4.942 est |
| Solubility | |
| alcohol | Yes |
| water, 1.445 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
| amines | Unspecified |
| ammonia | Unspecified |
Organoleptic Properties
| Odor Type: Aldehydic | |
| aldehydic, amber, lemon, green, waxy | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 1.00 % in dipropylene glycol. aldehydic amber lemon green waxy |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Amber , Balsam , Citrus , Green , Herbal , Incense , Lemon , Woody |
| Other purposes | Waxy |
| 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: | |
| oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30(Suppl), Pg. 89S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30(Suppl), Pg. 89S, 1992. | |
| 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-methyl undecanal dimethyl acetal usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Recommendation for 2-methyl undecanal dimethyl acetal 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):68141-17-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :109183 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1,1-dimethoxy-2-methylundecane |
| Chemidplus:0068141173 |