| Preferred name | lemon hexadiene |
| Trivial Name | 1-methylcyclohexa-1,3-diene |
| Short Description | mixture ofmethyl cyclohexadiene and methylene cyclohexene |
| Formula | C7 H10 |
| CAS Number | 30640-46-1 |
| CAS Number | 1888-90-0 |
| Deleted CAS Number | 68739-08-2 |
| FEMA Number | 4311 |
| ECHA Number | 250-269-5 |
| FDA UNII | NZ9H475GT1 |
| Nikkaji Number | J206.693I |
| COE Number | 11797 |
| xLogP3-AA | 2.10 (est) |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 977187-67-9 ; MIXTURE OF METHYL CYCLOHEXADIENE AND METHYLENE CYCLOHEXENE |
| Synonyms |
|
| 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 |
| (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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2902.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 94.156700134277 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.906 to 6.965 |
| Refractive Index | 1.474 to 1.484 @ 20 °C |
| Vapor Pressure | 22.283001 mmHg @ 25 °C |
| Flash Point TCC Value | 15.56 °C TCC |
| logP (o/w) | 3.009 est |
| Solubility | |
| alcohol | Yes |
| water, 54.36 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Citrus | |
| lemon, lime, truffle | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | < 1 hour(s) at 100.00 % |
| General comment | At 10.00 % in dipropylene glycol. powerful lemon lime truffle |
| Flavor Type: Citrus | |
| lemon, lime, sulfurous | |
| General comment | Citrus lemon lime sulfurous |
| Topnote of lime and other citrus applications, tropical fruits, garlic, and wasabe. | Distilled lime, sulfur topnotes of citrus and garlic |
| Applications | |
| Odor purposes | Abronia , Bergamot , Cedrat , Citronella , Citrus , Colonia , Elemi , Lemon , Lemongrass , Lime , Linden flower , Litsea cubeba , Orange , Petitgrain lemon petitgrain , Petitgrain lime petitgrain , Verbena |
| Flavoring purposes | Litsea cubeba , Petitgrain lemon petitgrain , Petitgrain lime petitgrain |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 11 - Highly flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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: | |
| oral-rat LD50 > 2000 mg/kg Topnote of lime and other citrus applications, tropical fruits, garlic, and wasabe. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and 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 lemon hexadiene usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.00250 | 1.00000 | |
| beverages(nonalcoholic): | 0.00250 | 1.00000 | |
| beverages(alcoholic): | 0.00250 | 2.00000 | |
| breakfast cereal: | 0.00010 | 1.00000 | |
| cheese: | - | 1.00000 | |
| chewing gum: | 0.00010 | 1.00000 | |
| condiments / relishes: | - | 2.00000 | |
| confectionery froastings: | 0.10000 | 1.00000 | |
| egg products: | - | 1.00000 | |
| fats / oils: | 0.10000 | 2.00000 | |
| fish products: | - | 1.00000 | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | 0.10000 | 2.00000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | 1.00000 | |
| gravies: | - | 1.00000 | |
| hard candy: | 0.10000 | 2.00000 | |
| imitation dairy: | - | 1.00000 | |
| instant coffee / tea: | - | 1.00000 | |
| jams / jellies: | 0.10000 | 1.00000 | |
| meat products: | - | 1.00000 | |
| milk products: | - | 1.00000 | |
| nut products: | - | 1.00000 | |
| other grains: | - | 1.00000 | |
| poultry: | - | 1.00000 | |
| processed fruits: | 0.10000 | 1.00000 | |
| processed vegetables: | - | 1.00000 | |
| reconstituted vegetables: | - | 1.00000 | |
| seasonings / flavors: | 0.10000 | 1.00000 | |
| snack foods: | 0.10000 | 1.00000 | |
| soft candy: | 0.10000 | 2.00000 | |
| soups: | - | 1.00000 | |
| sugar substitutes: | - | 1.00000 | |
| sweet sauces: | - | 1.00000 | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):30640-46-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :121731 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:2 |
| 1-methylcyclohexa-1,3-diene |
| Chemidplus:0030640461 |
| 3-methylidenecyclohexene |
| Chemidplus:0001888900 |