Articles:
1-oxaspiro[4.5]dec-7-ene, 2,10,10-trimethyl-6-methylene-
Notes:
Constit. of the juice of wine grape (Vitis vinifera)
| CAS Number: | 65416-59-3 |  3D/inchi
|
| FDA UNII: | V63S23G8VK | |
| Nikkaji Web: | J20.178B | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 192.30160000 | |
| Formula: | C13 H20 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow solid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 49.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 258.00 to 259.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.022000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 224.00 °F. TCC ( 106.67 °C. ) |
| logP (o/w): | 3.619 (est) |
| Soluble in: | |
| alcohol | |
| water, 5.082 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium , recommend smelling in a 1.00 % solution or less |
| floral fruity earthy woody | |
| Odor Description: at 1.00 % in propylene glycol. | floral fruity earthy woody |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for vitispirane usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.65 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3200 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 3.00000 | 15.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 15.00000 | 75.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
Safety References:
| 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 33 (FGE.33)[1] - Six Tetrahydrofuran Derivatives from Chemical Groups 13, 14, 16 and 26 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 75 (FGE.75)[1] - Consideration of tetrahydrofuran derivatives and a furanone derivative evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6450832 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene | |
| Chemidplus: | 0065416593 |
References:
| 2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6450832 |
| Pubchem (sid): | 135238554 |
| Pherobase: | View |
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 |
| HMDB (The Human Metabolome Database): | HMDB36818 |
| FooDB: | FDB015765 |
| YMDB (Yeast Metabolome Database): | YMDB01413 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| grape plant Search Trop Picture | |
| grapefruit juice - 0.0006 mg/kg Search Trop Picture | |
| vanilla Search Picture | |
| wine port wine - up to 2 mg/kg Search Picture | |
| wine red wine - up to 0.11 mg/kg Search Picture | |
| wine white wine - up to 0.32 mg/kg Search Picture | |
| witch hazel leaf oil @ 0.09% Data GC Search Trop Picture |
Synonyms:
| 6- | methylene-2,10,10-trimethyl-1-oxaspiro(4.5)dec-7-ene |
| 6- | methylene-2,10,10-trimethyl-1-oxaspiro[4.5]dec-7-ene |
| 1- | oxaspiro[4.5]dec-7-ene, 2,10,10-trimethyl-6-methylene- |
| 2,6,6- | trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene |
| 2,10,10- | trimethyl-6-methylene-1-oxaspiro(4.5)dec-7-ene |
| 2,10,10- | trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene |