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isoamyl heptine carbonate
General Material Information
| Preferred name | isoamyl heptine carbonate |
| Trivial Name | 3-Methylbutyl 2-octynoate |
| Short Description | 3-methylbutyl 2-octynoate |
| Formula | C13 H22 O2 |
| CAS Number | 68555-60-2 |
| ECHA Number | 271-436-9 |
| FDA UNII | Search |
| Nikkaji Number | J309.197J |
| MDL | MFCD00036670 |
| xLogP3-AA | 4.90 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| 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: | 2916.19.5000 |
| ChemSpider: | View |
Suppliers
| Santa Cruz Biotechnology | TCI AMERICA |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 210.31674194336 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.448 to 7.473 |
| Refractive Index | 1.449 to 1.452 @ 20 °C |
| Boiling Point | 292 to 294°C @ 760 mm Hg |
| Boiling Point | 148 to 149°C @ 20 mm Hg |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Flash Point TCC Value | 120.56 °C TCC |
| logP (o/w) | 5.102 est |
| Solubility | |
| alcohol | Yes |
| water, 5.609 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| sweet, leafy, violet, green | |
| Odor strength | medium |
| Substantivity | 164 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. sweet leaf violet green |
Potential Uses
| Applications | |
| Odor purposes | Foliage , Lilac , Sweet pea , Violet , Violet leaf |
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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| information only not used for fragrances or flavors | |||
| IFRA Critical Effect: | |||
| Insufficient data | |||
| View the IFRA Standard | |||
| Recommendation for isoamyl heptine carbonate usage levels up to: | |||
| PROHIBITED: Should not be used as a fragrance ingredient. | |||
| Recommendation for isoamyl heptine carbonate 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):68555-60-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :110542 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methylbutyl oct-2-ynoate |
| Chemidplus:0068555602 |