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apricot isobutyrate
Apricot isobutyrate is a fragrance ester characterized by fruity notes reminiscent of apricot, plum, jasmine, and rose, commonly utilized in perfuming applications.
General Material Description
Apricot isobutyrate is a synthetic ester belonging to the class of fragrance compounds. Chemically known as propanoic acid, 2-methyl-, decahydro-2-naphthalenyl ester, it has the molecular formula C14H24O2. The compound is recognized for its fruity odor profile that combines mild apricot, plum, jasmine, and rose notes. It appears as a colorless to light yellow liquid with a characteristic fruity scent. In perfumery, apricot isobutyrate is used as a key component to impart fruity nuances. The compound is referenced in chemical databases such as PubChem and can be synthesized or derived from petrochemical precursors. Its multiple synonyms include decahydro-2-naphthyl isobutyrate and trans-decalin derivatives, providing alternative names under which it may be marketed or studied.
Occurrence, Applicability & Potential Uses
Apricot isobutyrate occurs primarily as a manufactured fragrance material without a natural biological source being prominent. It finds primary application in the fragrance industry, specifically as a perfuming agent that contributes fruity and floral notes reminiscent of apricot, plum, and jasmine. The compound is incorporated into fragrance concentrates, where it enhances fruity accords and provides subtle rose-like undertones. Regulatory guidance such as IFRA (Global) standards recommend usage rates up to 5.0% in fragrance formulations, supporting its controlled and safe deployment. Apricot isobutyrate is generally not utilized in flavoring applications, aligning with its classification as a fragrance-only material under relevant cosmetic and fragrance safety frameworks.
Physico-Chemical Properties Summary
Apricot isobutyrate exhibits physical and chemical properties significant to its function in formulations. It has a moderate molecular weight of approximately 224.34 g/mol, indicating a small to medium-sized organic molecule. The compound is a colorless liquid with an estimated logP around 4.7 to 4.8, indicating lipophilicity favouring oil solubility. It shows a specific gravity close to 0.97 to 0.98 at 20–25°C and a refractive index ranging from 1.472 to 1.486 at 20°C, relevant for quality control and purity verification. The boiling point near 271–272°C at atmospheric pressure reflects its volatility characteristics pertinent to evaporation rates in perfumery. Vapor pressure is low (~0.006 mmHg at 25°C), indicating limited volatility under ambient conditions. Solubility is low in water but adequate in alcohols, guiding solvent selection in product formulation. The flash point at 212°F (≈100°C) signals moderate flammability under processing conditions. These parameters influence stability, blending, and safety in fragrance applications.
FAQ
What is apricot isobutyrate and what are its main sensory characteristics?
Apricot isobutyrate is a synthetic ester used primarily as a fragrance ingredient. It possesses a fruity aroma with mild notes reminiscent of apricot, plum, jasmine, and rose. These olfactory properties make it valuable in perfumery for imparting fresh and natural fruit nuances within fragrance compositions.
How is apricot isobutyrate typically used and where is it sourced from?
Apricot isobutyrate is manufactured industrially and incorporated mainly into fragrance concentrates as a perfuming agent. It does not occur naturally in significant amounts and is synthesized to achieve consistent quality and olfactory effects. Its applications focus on enhancing fruity accords in cosmetic and personal care products.
What regulations govern the use of apricot isobutyrate in fragrances and are there safety precautions?
The use of apricot isobutyrate in fragrances is governed by standards such as the IFRA Code of Practice (Global), which permits usage levels up to 5% in fragrance concentrates. Safety assessments have not identified hazard classifications under OSHA (US) regulations. While detailed toxicological data remain limited, the absence of hazard statements suggests controlled use within recommended limits. It is not approved for flavor use, and formulators should consult relevant safety and regulatory resources before application.
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: | 2915.60.0000 |
| ChemSpider: | View |
General Material Information
| Preferred name | apricot isobutyrate |
| Trivial Name | Decahydro-2-naphthalenyl 2-methylpropanoate |
| Short Description | propanoic acid, 2-methyl-, decahydro-2-naphthalenyl ester |
| Formula | C14 H24 O2 |
| CAS Number | 67874-78-6 |
| ECHA Number | 267-506-3 |
| FDA UNII | Search |
| xLogP3-AA | 4.50 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 224.34367370605 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.08 to 8.146 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.097 to 8.164 |
| Refractive Index | 1.486 to 1.472 @ 20 °C |
| Boiling Point | 271 to 272°C @ 760 mm Hg |
| Vapor Pressure | 0.006 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.763 est |
| Solubility | |
| alcohol | Yes |
| water, 4.065 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, apricot, plum, rose | |
| General comment | At 100.00 %. fruity mild apricot plum rose |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Fruit , Jasmin , Plum |
| 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 apricot isobutyrate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for apricot isobutyrate 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):67874-78-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :106937 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2-methylpropanoate |
| Chemidplus:0067874786 |