| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 1,1-dimethoxydecane |
| InChI : | InChI=1/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3 |
| InChIKey : | NCRNCSZWOOYBQF-UHFFFAOYAD |
| SMILES : | CCCCCCCCCC(OC)OC |
| cas number : | 7779-41-1 |
| (EINECS) number : | 231-928-6 |
| beilstein number : | 4242149 |
| fema number : | 2363 |
| coe number : | 43 |
| jecfa number : | 945 |
| fl. number : | 06.009 |
| molar refractivity : | 61.09 ± 0.3 cm3 |
| parachor : | 546.2 ± 4.0 cm3 |
| index of refraction : | 1.423 ± 0.02 |
| surface tension : | 26.9 ± 3.0 dyne/cm |
| density : | 0.844 ± 0.06 g/cm3 |
| polarizability : | 24.21 ± 0.5 10-24cm3 |
| XlogP : | 4.80 |
| molecular weight : | 202.3336400 (IUPAC) |
| formula : | C12 H26 O2 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2911.00.5000 |
| fda reg : | 172.515 |
Suppliers :
|
| Bedoukian Research : | DECANAL DIMETHYL ACETAL
≥98.0%, Kosher Odor: A waxy, floral odor which develops slowly Specific fragrance uses include rose, neroli, bergamot and tuberose compositions. Flavor: sweet orange Has a sweet taste with orange undertones and finds use in citrus, grape and tea and brandy flavors. |
| Frutarom : | DECANAL DIMETHYL ACETAL
≥98.00%, Kosher Odor: Citrus, Floral, Herbaceous. Suggested Uses: Alcoholic Beverages, Bakery, Citrus Fruits, Dairy Products, Tropical Fruits |
| Inoue : | DECANAL DIMETHYL ACETAL
|
| Penta : | decanal dimethyl acetal
|
| SAFC Global® : | Decanal dimethyl acetal
≥98%, Kosher Odor: citrus; floral; wine-like; herbaceous. |
organoleptics :
|
| odor type : | herbal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | herbal citrus green neroli |
| odor sample from : | Nickstadt Moeller, Inc. |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83000 to 0.85200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 6.906 to 7.089
|
| refractive index : | 1.42000 to 1.43000 @ 20.00 °C.
|
| boiling point : | 218.00 °C. @ 760.00 mm Hg
|
| boiling point : | 77.00 to 79.00 °C. @ 1.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| vapor pressure : | 0.02000 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 199.00 °F. TCC ( 92.78 °C. )
|
| logP (o/w) : | 4.33 |
safety :
|
| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
| |
R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
|
| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
| |
Oral-Rat >5000.00 mg/kg
|
| Dermal Toxicity(LD50) : | |
| |
Skin-Rabbit >5000.00 mg/kg
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.024 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.00 (μg/capita/day) |
| Structure Class : | I |
| |
| recommendation for decanal dimethyl acetal fragrance usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
|
| recommendation for decanal dimethyl acetal flavor usage levels up to : |
| | 8.0000 ppm in the flavor.
|
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 |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | 1,1-dimethoxydecane |
| (EINECS) number : | 231-928-6 |
| RTECS : | HD6200000 for cas# 7779-41-1 |
| chemidplus : | 007779411 |
| EPA Substance Registry Services : | 7779-41-1 |
| dtp/nci : | 46132 |
references :
|
| | 1,1-dimethoxydecane |
| fl. number : | 06.009 |
| jecfa number : | 945 |
| NIST Chemistry WebBook : | 64374663 |
| pubchem : | 167023 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| CosIng : | cosmetic data |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |