methyl octine carbonate
methyl 2-nonynoate
Identification
| Name | methyl octine carbonate |
| IUPAC | methyl non-2-ynoate |
| CAS Number | 111-80-8 |
| EINECS | 203-909-2 |
| FDA UNII | 8RN66UR57V |
| Molecular Formula | C10 H16 O2 |
| Molecular Weight | 168.23592000 |
| MDL Number | MFCD00009547 |
| Nikkaji Number | J34.596B |
| Beilstein | 1759870 |
| CoE Number | 479 |
Regulatory
| JECFA Food Flavoring | 1356 methyl 2-nonynoate |
| DG SANTE Food Flavourings | 09.156 methyl 2-nonynoate |
| FEMA Number | 2726 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 111-80-8 ; METHYL 2-NONYNOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.91600 to 0.91800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.622 to 7.639 |
| Refractive Index | 1.44800 to 1.45000 @ 20.00 °C. |
| Boiling Point | 121.00 to 122.00 °C. @ 20.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.057000 mmHg @ 25.00 °C. (est) |
| Flash Point | 214.00 °F. TCC ( 101.00 °C. ) |
| logP (o/w) | 3.729 (est) |
| Shelf Life | 24.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | detergent |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 112 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. green, violet leaf Floral, Green, Violet, Leaf artificial aroma chemical Green Violet-Leaf
|
| Odor sample from | Givaudan Corporation |
| Taste Description |
green melon cucumber violet tropical fruity Sweet, strawberry, melon character
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 1 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 2220 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| IFRA Critical Effect | Dermal sensitization |
| fragrance material specification | Should not be used such that the level in finished cosmetic products exceeds 0.002%. When used alone level in the finished cosmetic products should not exceed 0.01%. When present in combination, the combined level in the finished product should not exceed 0.01% of which methyl heptine carbonate should not be more than 0.002% |
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%) | Category 1: Products applied to the lips |
| Notes | IFRA FLAVOR REQUIREMENTS: |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | 0.02000 |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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