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dihydromyrcenyl acetate
Dihydromyrcenyl acetate is an acetate ester used primarily as a fragrance agent with a medium-strength citrus and woody scent profile.
General Material Description
Dihydromyrcenyl acetate, also known by its trivial name 2,6-dimethyl-7-octen-2-yl acetate, is a synthetic ester commonly used in fragrance formulations. This chemical features the molecular formula C12H22O2 and is characterized by a medium-strength citrus odor with woody and slightly fruity nuances. Synonyms include dihydro myrcenol acetate and dihydromyrcenal acetate among others. The compound belongs to the class of acetate esters and is linked in chemical databases such as PubChem, providing structural and safety data. Sourced primarily through synthetic organic chemistry processes, dihydromyrcenyl acetate contributes to the creation of complex fragrance profiles mimicking natural citrus and herbal notes for use in personal care and home products.
Occurrence, Applicability & Potential Uses
Although dihydromyrcenyl acetate does not naturally occur in significant biological sources, it is widely used in the fragrance industry. Its citrus and woody aroma enhances various perfume compositions, contributing to floral, herbal, bergamot, lime, and lavender scent accords. As a synthetic fragrance ingredient, it is incorporated predominantly in perfuming agents designed for cosmetic and personal care products. Compliance with standards such as the IFRA (Global) Code of Practice is essential for safe usage levels and regulatory approval, ensuring it meets safety guidelines while delivering desired olfactory effects. Its consistent scent profile makes it valuable in creating versatile fragrance blends.
Physico-Chemical Properties Summary
Dihydromyrcenyl acetate possesses several physical and chemical properties influencing its application in formulations. Its molecular weight is approximately 198.3 g/mol. At 25 °C, the compound exhibits a specific gravity ranging from 0.869 to 0.877, indicative of moderately dense liquid behavior. The refractive index measured at 20 °C lies between 1.429 and 1.434, providing insight into its optical characteristics. It has a relatively low vapor pressure of 0.027 mmHg at 25 °C, suggesting moderate volatility conducive to sustained scent release. The boiling point ranges from 213 to 218 °C at standard atmospheric pressure, reflecting moderate thermal stability. The flash point is around 196 °C, which is relevant for safe handling and storage. Its logP (partition coefficient) value near 4.0 indicates lipophilicity, enhancing solubility in alcohol-based solvents commonly used in perfumes. Water solubility is low, estimated at 6.77 mg/L at 25 °C, but it dissolves readily in alcohols, facilitating its incorporation into fragrance bases. These properties combined influence its substantivity and suitability within various scented product matrices.
FAQ
What is dihydromyrcenyl acetate and what are its main uses?
Dihydromyrcenyl acetate is a synthetic fragrance compound classified as an acetate ester. It is primarily used as a fragrance agent to impart citrus, woody, and slightly fruity notes to perfumes and personal care products. The compound is valued for enhancing accords such as bergamot, lime, lavender, and floral scents, contributing to complex perfumery compositions.
Where does dihydromyrcenyl acetate occur and how is it applied in products?
This compound does not commonly occur in nature but is produced synthetically for use in fragrance formulations. Due to its favorable odor qualities and physico-chemical profile, it is incorporated into perfuming agents within cosmetics, shampoos, soaps, and household products. Its stability in various matrices and solubility in alcohol facilitate its application in scent blends.
What safety standards and regulations apply to dihydromyrcenyl acetate?
Dihydromyrcenyl acetate is subject to safety assessments such as those conducted by IFRA (International Fragrance Association) globally. The IFRA Code of Practice recommends usage levels up to 20% in fragrance concentrates to ensure safe exposure. In Europe, classification as an irritant (Xi) with hazard statements advises precautions to prevent skin and eye contact. Regulatory databases like ECHA and FDA list the compound with identifiers CAS 53767-93-4 and others, supporting compliance with chemical safety regulations.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| 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: | 2915.39.9050 |
| ChemSpider: | View |
General Material Information
| Preferred name | dihydromyrcenyl acetate |
| Trivial Name | 2,6-Dimethyl-7-octen-2-yl acetate |
| Short Description | 2,6-dimethyl-7-octen-2-yl acetate |
| Formula | C12 H22 O2 |
| CAS Number | 53767-93-4 |
| ECHA Number | 258-751-7 |
| FDA UNII | W9O6R2H72I |
| Nikkaji Number | J296.040K |
| MDL | MFCD00038510 |
| xLogP3-AA | 3.40 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 198.30574035645 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.231 to 7.298 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.248 to 7.314 |
| Refractive Index | 1.429 to 1.434 @ 20 °C |
| Boiling Point | 213 to 218°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.027 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 91.11 °C TCC |
| logP (o/w) | 4.042 est |
| Solubility | |
| alcohol | Yes |
| water, 6.77 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| liquid detergent | Unspecified |
| non-discoloring | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Citrus | |
| citrus, bergamot, lime, lavender | |
| Odor strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1995) | At 100.00 %. citrus bergamot lime lavender |
| General comment | Woody, slightly fruity |
Potential Uses
| Applications | |
| Odor purposes | Bergamot , Citrus , Floral , Herbal , Lavender , Lime |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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: | |
| 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 dihydromyrcenyl acetate usage levels up to: | |||
| 20.0000 % in the fragrance concentrate. | |||
| Recommendation for dihydromyrcenyl 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):53767-93-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :103826 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:2 |
| 2,6-dimethyloct-7-en-2-yl acetate |
| Chemidplus:0053767934 |