| Preferred name | isodihydrolavandulal |
| Trivial Name | 5-methyl-2-propan-2-ylhex-2-enal |
| Short Description | 2-isopropyl-5-methyl-2-hexenal |
| Formula | C10 H18 O |
| CAS Number | 35158-25-9 |
| CAS Number | 69104-96-7 |
| CAS Number | 35158-25-9 (Z) |
| FEMA Number | 3406 |
| Flavis Number | 5.107 |
| ECHA Number | 252-406-4 |
| FDA UNII | 7F8Q5STQ11 |
| Nikkaji Number | J36.839C |
| MDL | MFCD00036616 |
| COE Number | 10361 |
| xLogP3-AA | 2.90 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1215 2-isopropyl-5-methyl-2-hexenal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 35158-25-9 ; 2-ISOPROPYL-5-METHYL-2-HEXENAL |
| Synonyms |
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| 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): | HMDB37161 |
| FooDB: | FDB016156 |
| Export Tariff Code: | 2912.19.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 154.2526550293 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.006 to 7.04 |
| Refractive Index | 1.448 to 1.454 @ 20 °C |
| Vapor Pressure | 0.2 mmHg @ 20 °C |
| Vapor Density | 5.3 |
| Flash Point TCC Value | 62.78 °C TCC |
| logP (o/w) | 3.426 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 81.08 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Herbal | |
| herbal, lavender, woody, green, blueberry, tomato | |
| Odor strength | medium |
| Substantivity | 14 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. herbal lavender woody green blueberry tomato |
| Flavor Type: Herbal | |
| herbal, woody, green, sage clary sage, minty, musty | |
| Luebke, William tgsc, (1996) | At 50.00 ppm in propylene glycol. herbal woody green clary sage minty musty |
| Excellent for adding cocoa powder notes to chocolate. Imparts dry woody notes for blueberry and cranberry flavors. | Very good cocoa powder notes, dry, woody |
| General comment | Herbal woody green clary sage minty musty |
| (data available) |
| Applications | |
| Odor purposes | Blueberry, Cedar, Fruit, Green, Herbal, Lavender, Woody |
| Flavoring purposes | Chocolate cocoa |
| Other purposes | Wet fields |
| Cosmetic purposes | Perfuming agents |
| 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg | |
| 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 isodihydrolavandulal usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.90 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1700 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: 7 | |||
| Click here to view publication 7 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 0.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 5.03000 | 11.86000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.50000 | 4.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 2.75000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 4.78000 | 5.00000 | |
| Confectionery (05.0): | 5.00000 | 14.22000 | |
| Chewing gum (05.3): | 2.20000 | 9.56000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 3.79000 | 11.40000 | |
| Bakery wares (07.0): | 6.20000 | 17.17000 | |
| Meat and meat products, including poultry and game (08.0): | 0.79000 | 3.50000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.50000 | 1.75000 | |
| Eggs and egg products (10.0): | 0.01000 | 3.00000 | |
| Sweeteners, including honey (11.0): | 0.51000 | 4.38000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 1.75000 | 5.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.01000 | 5.01000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 4.43000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 2.00000 | 3.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.50000 | 0.50000 | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):35158-25-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :37066 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1989 |
| WGK Germany:2 |
| 5-methyl-2-propan-2-ylhex-2-enal |
| Chemidplus:0035158259 |
| RTECS:MP6450000 for cas# 35158-25-9 |
| (E)-5-methyl-2-propan-2-ylhex-2-enal |
| Chemidplus:0069104967 |
| (Z)-5-methyl-2-propan-2-ylhex-2-enal |