We have found
46590
results matching your criteria.
Please wait while we search...
petitgrain heptane
Petitgrain heptane is a fragrance compound with herbal, citrus, and licorice notes used primarily as a perfuming agent and in detergents.
General Material Description
Petitgrain heptane, also known by its trade name isoproxen (IFF), is a bicyclic ether organic compound with molecular formula C12H20O. It features a distinctive herbal-citrus odor with subtle licorice and petitgrain notes, enhanced by animal nuances reminiscent of costus. This fragrance ingredient originates from the reaction products of 2-propanol with boron trifluoride and 5-ethylidenebicyclo[2.2.1]hept-2-ene. It appears as a liquid with moderate refractive index and specific gravity and is recognized under the specifier 6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether. For chemical referencing, visit its PubChem entry. Petitgrain heptane is typically sourced or synthesized for use in fragrance and detergent formulations.
Occurrence, Applicability & Potential Uses
This compound is not naturally occurring but is synthesised for its aromatic qualities. Petitgrain heptane is primarily applied in fragrance formulations to impart herbal, citrus, licorice, and petitgrain odor notes supported by animalic facets such as costus. It enhances the complexity of amber, bergamot, and fresh hay accords. Classified under fragrance agents according to IFRA (Global), the compound shows versatility in personal care products and household detergents, where it adds olfactive richness. Its compatibility with various base components supports stable inclusion in shampoos, soaps, fabric softeners, and hard surface cleaners.
Physico-Chemical Properties Summary
Petitgrain heptane exhibits a moderate molecular weight of approximately 180.29 g/mol and a molecular formula C12H20O. It has a boiling range near 230 to 231°C at atmospheric pressure and displays a specific gravity typically between 0.902 and 0.911 at 20–25°C. The refractive index ranges from 1.462 to 1.468 at 20°C. It is soluble in alcohols and shows limited solubility in water (approx. 60.02 mg/L at 25°C). The compound has a logP of 3.41, indicating moderate lipophilicity, which supports its use in oil-based formulations. With a flash point around 74°C (165°F), it is compatible with a range of cosmetic matrices and detergent formulations without significant stability concerns, including acidic, alcoholic, and bleaching environments.
FAQ
What is petitgrain heptane and how is it related to isoproxen?
Petitgrain heptane is a fragrance compound that belongs to the class of bicyclic ethers. It is known for its herbal and citrus aroma profile with licorice and petitgrain nuances. Isoproxen is a trade name used by fragrance manufacturers such as IFF for petitgrain heptane. Chemically, it results from the reaction of 2-propanol with boron trifluoride and a bicyclic alkene precursor. This compound is valued in perfumery for imparting fresh, zesty, and slightly animalic olfactive notes.
Where is petitgrain heptane typically used and what are its main applications?
Petitgrain heptane is predominantly used as a perfuming agent in fragrance compositions due to its distinctive herbal-citrus odor. Its applications extend to detergents and personal care products such as shampoos, soaps, and fabric softeners. The compound is stable in various formulation matrices, including alcoholic and acidic environments, promoting versatility. It adds complexity to aromatic blends featuring amber, bergamot, and fresh hay notes, helping to enrich the scent profile of consumer goods.
What regulations or standards apply to petitgrain heptane for use in fragrances?
Petitgrain heptane is regulated under the International Fragrance Association (IFRA) Code of Practice (Global). The IFRA standard currently permits its usage in fragrance concentrates up to 5.0% concentration. It is not recommended for use in flavor applications. Safety assessments, such as the RIFM Fragrance Material Safety Assessment, have been conducted to ensure compliance with industry safety standards. No significant hazard classifications have been identified under OSHA HCS in the United States. Users should consult relevant safety data and regulatory guidelines prior to formulation.
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: | 2909.20 |
General Material Information
| Preferred name | petitgrain heptane |
| Trivial Name | 2-Propanol, reaction products with boron trifluoride and 5-ethylidenebicyclo[2.2.1]hept-2-ene |
| Short Description | isoproxen (IFF) |
| Formula | C12 H20 O |
| CAS Number | 90530-04-4 |
| ECHA Number | 292-041-8 |
| FDA UNII | Search |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| Azelis UK | IFF |
| Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 180.2906036377 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.506 to 7.572 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.523 to 7.589 |
| Refractive Index | 1.462 to 1.468 @ 20 °C |
| Boiling Point | 230 to 231°C @ 760 mm Hg |
| Flash Point TCC Value | 73.89 °C TCC |
| logP (o/w) | 3.41 |
| Solubility | |
| alcohol | Yes |
| water, 60.02 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| acid cleaner | Unspecified |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| bleach | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| herbal, citrus, licorice, petitgrain, animal, costus | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| General comment | At 100.00 %. herbal citrus licorice petitgrain animal costus |
| Unusual combination of herbal, citrus, licorice and petitgrain notes, modified by animal nuances of costus. | Fresh, herbal, citrus note with bergamot, petit grain, zesty, aninisic facets and costus nuances |
Potential Uses
| Applications | |
| Odor purposes | Amber , Animal , Bergamot , Citrus , Costus , Hay new mown hay , Herbal , Licorice , Petitgrain |
| Other purposes | Detergents |
| 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 petitgrain heptane usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for petitgrain heptane flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| National Institute of Allergy and Infectious Diseases:Data |
| 6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether |
| Chemidplus:0090530044 |