methyl heptadienone
6-methyl-3,5-heptadien-2-one
Identification
| Name | methyl heptadienone |
| IUPAC | 6-methylhepta-3,5-dien-2-one |
| CAS Number | 1604-28-0 |
| EINECS | 216-507-7 |
| FDA UNII | P7CMP2E76C |
| Molecular Formula | C8 H12 O |
| Molecular Weight | 124.18284000 |
| MDL Number | MFCD00043647 |
| Nikkaji Number | J195.217J |
| CoE Number | 11143 |
Regulatory
| JECFA Food Flavoring | 1134 6-methyl-3,5-heptadien-2-one |
| DG SANTE Food Flavourings | 07.099 6-methylhepta-3,5-dien-2-one |
| FEMA Number | 3363 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1604-28-0 ; 6-METHYL-3,5-HEPTADIEN-2-ONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89500 to 0.89900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.447 to 7.481 |
| Refractive Index | 1.52800 to 1.53700 @ 20.00 °C. |
| Boiling Point | 190.00 °C. @ 760.00 mm Hg, 83.50 °C. @ 9.00 mm Hg |
| Vapor Pressure | 0.464000 mmHg @ 25.00 °C. (est) |
| Flash Point | 177.00 °F. TCC ( 80.56 °C. ) |
| logP (o/w) | 1.679 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 48 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. Sweet, green, spice-like with a cooling herbaceous nuance
|
| Odor sample from | Givaudan Corporation |
| Taste Description | at 30.00 ppm. |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| 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 |
| RIFM Fragrance Material Safety Assessment | Search |
| IFRA Critical Effect | Dermal sensitization |
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%) | Category 1: Products applied to the lips |
| Notes | IFRA FLAVOR REQUIREMENTS: |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 13.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 5.00 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| 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 | - |
| 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 | - |
| Dairy products, excluding products of category 02.0 (01.0) | 0.05000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 0.50000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 1.10000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 1.00000 |
| Bakery wares (07.0) | 1.00000 |
| Meat and meat products, including poultry and game (08.0) | - |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.50000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 1.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.05000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| Ready-to-eat savouries (15.0) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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