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methyl decanoate
Methyl decanoate is an organic ester known for its fruity and floral odor, widely used in flavor and fragrance formulations.
General Material Description
Methyl decanoate is a naturally occurring ester classified chemically as a fatty acid methyl ester with the molecular formula C11H22O2. It appears as a liquid with a specific gravity of approximately 0.872 to 0.875 at 20°C and exhibits an oily, fruity, wine-like, and floral odor profile. Its synonyms include methyl caprate, decanoic acid methyl ester, and capric acid methyl ester. It is linked in controlled-vocabulary databases such as PubChem (Compound ID: 8050) and is typically derived via esterification of decanoic acid with methanol. Methyl decanoate is used primarily for its organoleptic properties in flavor and fragrance sectors. It can be found naturally in trace amounts in materials like champaca concrete, osmanthus absolute, plum fruit, and star fruit oil from Cuba.
Occurrence, Applicability & Potential Uses
Methyl decanoate occurs naturally in trace levels within certain flower absolutes and fruit oils such as champaca concrete, osmanthus absolute, plum fruit, and star fruit oil from Cuba. This compound is valued in the flavor and fragrance industry for imparting fatty, fruity, floral, and wine-like aromas. Its applications include blending in perfumes, flavoring agents, and other aroma formulations. The compound is recognized under standards such as FEMA (US), fitting into the flavor and fragrance material category. Due to its physicochemical and sensory attributes, it is suitable for enhancing floral and fruity notes with oily nuances in end products.
Physico-Chemical Properties Summary
Methyl decanoate demonstrates moderate lipophilicity with a logP value of 4.41, favoring solubility in alcohol but limited solubility in water, with approximately 4.41 mg/L measured at 20°C. It has a specific gravity slightly less than 1, ranging from 0.872 to 0.875 at 20°C, and refractive indices between 1.424 and 1.427 at the same temperature. Its melting point lies between -14°C and -11°C under atmospheric pressure, and it exhibits low vapor pressure of 0.093 mmHg at 25°C, indicating limited volatility. The flash point is 202°F (approximately 94.4°C), reflecting a moderate ignition temperature useful for handling and formulation considerations. These properties affect its behavior in both liquid and semi-solid matrices and provide guidance for formulation stability and odor release profiles.
FAQ
What is methyl decanoate and what are its main characteristics?
Methyl decanoate is an ester chemical with the molecular formula C11H22O2. It is also known as methyl caprate or decanoic acid methyl ester. The compound has a fruity, floral, and fatty odor with oily and wine-like sensory notes. It appears as a liquid at room temperature and is primarily used in flavors and fragrances due to its distinctive aroma profile.
Where is methyl decanoate found naturally and what are its typical applications?
This ester is present naturally in small quantities in certain floral and fruit materials such as champaca concrete, osmanthus absolute, plum fruit, and star fruit oil from Cuba. It is predominantly used as a flavor and fragrance agent to impart soft, fruity, floral, and oily notes in perfumery and food flavorings. Its sensory properties make it useful in formulations requiring a fatty or wine-like character.
What safety and regulatory standards apply to methyl decanoate?
Methyl decanoate is assessed under the FEMA (US) flavor and fragrance guidelines. It is considered to have low acute toxicity based on oral rat LD50 values exceeding 2000 mg/kg. Safety evaluations by organizations like RIFM have established recommended usage limits, such as up to 1.0% in fragrance concentrates according to IFRA (Global) standards. No significant hazard classifications have been assigned by OSHA (US). Its regulatory status is documented in databases like ECHA REACH (EU) and FDA UNII (US).
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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Literature & References
| methyl decanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 110-42-9 |
| Pubchem (cid): | 8050 |
| Pubchem (sid): | 134974350 |
| Flavornet: | 110-42-9 |
| Pherobase: | View |
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 |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| HMDB (The Human Metabolome Database): | HMDB33848 |
| FooDB: | FDB012026 |
| YMDB (Yeast Metabolome Database): | YMDB01336 |
| Export Tariff Code: | 2915.90.5050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: grades: ...99.8% pure. | |
General Material Information
| Preferred name | methyl decanoate |
| Trivial Name | Methyl decanoate |
| Short Description | methyl caprate |
| Formula | C11 H22 O2 |
| CAS Number | 110-42-9 |
| Flavis Number | 9.251 |
| ECHA Number | 203-766-6 |
| FDA UNII | U9L2W51J0B |
| Nikkaji Number | J1.975E |
| Beilstein Number | 1759170 |
| MDL | MFCD00009580 |
| COE Number | 2304 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 186.29473876953 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.264 to 7.289 |
| Refractive Index | 1.424 to 1.427 @ 20 °C |
| Melting Point | -14 to -11°C @ 0 mm Hg |
| Vapor Pressure | 0.093 mmHg @ 25 °C |
| Flash Point TCC Value | 94.44 °C TCC |
| logP (o/w) | 4.41 |
| Solubility | |
| alcohol | Yes |
| water, 4.41 mg/L @ 20 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fermented | |
| oily, winey, fruity, floral | |
| General comment | At 100.00 %. oily wine fruity floral |
| Flavor Type: Fatty | |
| fatty, oily, fruity | |
| General comment | Fatty oily fruity |
Occurrences
| (data available) |
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: | |
| oral-rat LD50 > 2000 mg/kg (Kästner, 2000b) intravenous-mouse LDLo 48 mg/kg Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and 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 methyl decanoate usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
Safety references
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):110-42-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8050 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| methyl decanoate |
| Chemidplus:0000110429 |
| RTECS:HD9830000 for cas# 110-42-9 |