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green hexanal
General Material Information
| Preferred name | green hexanal |
| Trivial Name | 3,5,5-Trimethylhexanal |
| Short Description | vandor B (IFF) |
| Formula | C9 H18 O |
| CAS Number | 5435-64-3 |
| FEMA Number | 3524 |
| Flavis Number | 5.116 |
| ECHA Number | 226-603-0 |
| FDA UNII | U62H30BXPJ |
| Nikkaji Number | J64.760H |
| Beilstein Number | 1740882 |
| MDL | MFCD00010441 |
| COE Number | 10384 |
| xLogP3-AA | 2.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 269 3,5,5-trimethylhexanal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 5435-64-3 ; 3,5,5-TRIMETHYLHEXANAL |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31730 |
| FooDB: | FDB008396 |
| Export Tariff Code: | 2912.19.5000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 142.24165344238 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.798 to 6.865 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 6.815 to 6.881 |
| Refractive Index | 1.419 to 1.424 @ 20 °C |
| Boiling Point | 67 to 68°C @ 2.5 mm Hg |
| Acid Value | 10 max KOH/g |
| Vapor Pressure | 0.14 mmHg @ 25 °C |
| Flash Point TCC Value | 46.67 °C TCC |
| logP (o/w) | 3.051 est |
| Solubility | |
| alcohol | Yes |
| water, very slightly | Yes |
| water, 189.2 mg/L @ 25 °C (est) | Yes |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Aldehydic | |
| aldehydic, dry, grassy, weedy, green, citrus, fatty, natural | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 5 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 10.00 % in dipropylene glycol. aldehydic dry grassy weedy green citrus fatty natural |
| Flavor Type: Herbal | |
| green, weedy, grassy, herbal, aldehydic, citrus, fatty | |
| Luebke, William tgsc, (1984) | Green weedy grassy herbal aldehydic citrus fatty |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Citrus , Cortex , Fresh and clean , Green , Hyacinth |
| Other purposes | Clean , Grass , Weedy |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 3240 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 841, 1982. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2500 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 841, 1982. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| 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 green hexanal usage levels up to: | |||
| 1.0000 % 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: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 20.00000 | |
| beverages(nonalcoholic): | - | 3.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 40.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 12.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 7.00000 | |
| 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: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):5435-64-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :21574 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1989 |
| WGK Germany:1 |
| 3,5,5-trimethylhexanal |
| Chemidplus:0005435643 |
| RTECS:MN7820000 for cas# 5435-64-3 |