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2-tropical oxathiane
General Material Information
| Preferred name | 2-tropical oxathiane |
| Trivial Name | 2-Methyl-4-propyl-1,3-oxathiane |
| Short Description | 2-methyl-4-propyl-1,3-oxathiane |
| Formula | C8 H16 O S |
| CAS Number | 67715-80-4 |
| FEMA Number | 3578 |
| Flavis Number | 16.03 |
| FDA UNII | 40P17KW8WL |
| Nikkaji Number | J24.392B |
| MDL | MFCD00673203 |
| COE Number | 11540 |
| xLogP3-AA | 2.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 464 2-methyl-4-propyl-1,3-oxathiane |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 67715-80-4 ; 2-METHYL-4-PROPYL-1,3-OXATHIANE |
| 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 |
Literature & References
| 2-methyl-4-propyl-1,3-oxathiane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 67715-80-4 |
| Pubchem (cid): | 101010 |
| Pubchem (sid): | 135058324 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31572 |
| FooDB: | FDB008189 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 2-Methyl-4-propyl-1,3-oxathiane |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 160.27972412109 |
| Boiling Point | 200 to 201°C @ 760 mm Hg |
| Boiling Point | 89 to 90°C @ 12 mm Hg |
| Vapor Pressure | 0.123 mmHg @ 25 °C |
| Vapor Density | 5.5 |
| Flash Point TCC Value | 50 °C TCC |
| logP (o/w) | 2.99 est |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| water, 672.1 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Tropical | |
| passion fruit, green, tropical, galbanum, pineapple, fruit tropical fruit, durian | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 56 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. green tropical galbanum pineapple |
| Flavor Type: Tropical | |
| fruit tropical fruit, green, tropical, durian | |
| General comment | Tropical fruit green durian |
| Used in ripe/soft fruit flavors - in frozen dairy, soft confection at 0.1ppm; and in non-alcoholic beverages at 0.05ppm. Odour threshold in water: 2 ppb for the (+)-cis isomer and 4 ppb for the (-)-cis isomer. Pickenhagen (1989) described the odour of the (+)-cis isomer as "sulphury, rubbery, tropical fruit" and the (-)-cis isomer as "flat, estery, camphoraceous". Camps (1985) indicates that 3-methylthiohexanol (FEMA# 3438) is closely related in odour profile, although "perhaps more green". Normal use levels in finished consumer product: up to 0.1 ppm. | Tropical |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Green , Jasmin , Lily of the valley , Passion fruit , Rose |
| Flavoring purposes | Fruit tropical fruit , Tropical |
| Other purposes | Natural |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| 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: | |
| gavage-rat LD50 6000 mg/kg Estimated value (BIBRA, 1976) | |
| Dermal Toxicity: | |
| Not determined | |
| 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 2-tropical oxathiane usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.30 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.10000 | |
| beverages(nonalcoholic): | - | 0.05000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.10000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 0.10000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.10000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 0.10000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species 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 :101010 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:3 |
| 2-methyl-4-propyl-1,3-oxathiane |
| Chemidplus:0067715804 |