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petitgrain heptane
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 |
|
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 |
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 |