| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane |
| InChI : | InChI=1/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3 |
| InChIKey : | XIGFNCYVSHOLIF-UHFFFAOYAM |
| SMILES : | CC(=C)C1CCC(O1)(C)C=C |
| cas number : | 13679-86-2 |
| (EINECS) number : | 237-184-9 |
| fema number : | 3759 |
| coe number : | 11944 |
| jecfa number : | 1455 |
| fl. number : | 13.097 |
| molar refractivity : | 48.82 ± 0.3 cm3 |
| parachor : | 390.1 ± 6.0 cm3 |
| index of refraction : | 1.505 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.925 ± 0.06 g/cm3 |
| polarizability : | 19.35 ± 0.5 10-24cm3 |
| XlogP : | 1.90 |
| molecular weight : | 152.2334400 (IUPAC) |
| formula : | C10 H16 O |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2909.20.0000 |
| fda reg : | unspecified |
Suppliers :
|
| Penta : | 5-isopropenyl-2-methyl-2-vinyl tetrahydrofuran
|
| Tokyo Chemical Industry : | 2-Isopropenyl-5-methyl-5-vinyltetrahydrofuran
>97.0%(GC) (mixture of isomers) |
organoleptics :
|
| odor type : | herbal |
| odor strength : | medium |
odor description¹ : at 100.00 %. | green minty spice herbal rosemary phenolic |
| odor sample from : | Dragoco Inc. |
odor description³ :
| Green, cooling spice, herbaceous, with a terpy and minty nuance |
taste description³ :
| Woody, piney, spicy, minty with a green citrus nuance |
| substantivity : | 4 Hour(s) |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87200 to 0.88200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.256 to 7.339
|
| refractive index : | 1.44700 to 1.45700 @ 20.00 °C.
|
| boiling point : | 167.00 to 168.00 °C. @ 760.00 mm Hg
|
| boiling point : | 70.00 °C. @ 23.00 mm Hg
|
| acid value : | 2.00 max. KOH/g
|
| vapor pressure : | 13.40000 mm/Hg @ 25.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 115.00 °F. TCC ( 46.11 °C. )
|
| logP (o/w) : | 2.77 |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
|
| Oral Toxicity(LD50) : |
| |
Oral-Mouse 1000.00-2000.00 mg/kg (Bonetti, 1983)
|
| Dermal Toxicity(LD50) : |
| |
Not determined
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.90 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.03 (μg/capita/day) |
| |
| recommendation for dehydroxylinalool oxide fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
| |
| WGK Germany : | 1 |
| |
| |
| |
| | 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane |
| (EINECS) number : | 237-184-9 |
| chemidplus : | 013679862 |
| EPA Substance Registry Services : | 13679-86-2 |
references :
|
| | 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane |
| fl. number : | 13.097 |
| jecfa number : | 1455 |
| pubchem : | 198054 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| reference : | Luebke, William tgsc, (1985)¹ |
| reference : | Mosciano, Gerard P&F 15, No. 6, 35, (1990)³ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |