| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 1,4-dioxacycloheptadecane-5,17-dione |
| InChI : | InChI=1/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2 |
| InChIKey : | XRHCAGNSDHCHFJ-UHFFFAOYAS |
| SMILES : | C1CCCCCC(=O)OCCOC(=O)CCCCC1 |
| cas number : | 105-95-3 |
| (EINECS) number : | 203-347-8 |
| beilstein number : | 0212344 |
| fema number : | 3543 |
| coe number : | 10571 |
| jecfa number : | 626 |
| fl. number : | 09.533 |
| molar refractivity : | 72.64 ± 0.3 cm3 |
| parachor : | 652.3 ± 6.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.977 ± 0.06 g/cm3 |
| polarizability : | 28.79 ± 0.5 10-24cm3 |
| XlogP : | 4.40 |
| molecular weight : | 270.3645400 (IUPAC) |
| formula : | C15 H26 O4 |
| BioActivity Analysis : | 99601 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2917.19.9090 |
| fda reg : | 172.515 |
Suppliers :
|
| Apple : | Ethylene brassylate
|
| Berje : | Ethylene Brassylate
|
| Elan : | ethylene brassylate
Kosher |
| Fleurchem : | ethylene brassylate
|
| John D. Walsh : | Ethylene Brassylate
|
| Moellhausen : | ethylene brassylate
97% min. artifical kosher |
| Penta : | ethylene brassylate
|
| Polarome : | ETHYLENE BRASSYLATE
FCC |
| SAFC Global® : | Ethylene brassylate
≥95%, Kosher Odor: musty; sweet |
| Shanghai Green Leaf : | Ethylene Brassylate
|
| Takasago : | Musk T
≥98% as Ethylene brassylate Odor: Sweet-musky, somewhat oily Can be used in all types of fragrance accords, from floral to animalic. It gives an outstanding tenacity to perfumes and it performs well in all types of applications. |
| Vigon : | Ethylene Brassylate
Odor: SWEET, MUSKY |
organoleptics :
|
| odor type : | musk |
| odor strength : | medium |
odor description: at 100.00 %. | powdery sweet floral ambrette musk woody Luebke, William tgsc, (1987) |
| odor sample from : | Emery Chemicals |
odor description:
| Powdery, sweet, floral and ambrette-like with woody, spicy and vanilla nuances Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
taste description: at 0.50 ppm. | Musky, sweet, powdery, floral, vanilla and perfumey Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
| substantivity : | 208 Hour(s) |
properties :
|
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 93.00 to 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.04000 to 1.04700 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.654 to 8.712
|
| refractive index : | 1.46800 to 1.47400 @ 20.00 °C.
|
| boiling point : | 138.00 to 142.00 °C. @ 1.00 mm Hg
|
| boiling point : | 330.00 to 331.00 °C. @ 760.00 mm Hg
|
| congealing point : | 7.00 °C.
|
| acid value : | 1.00 max. KOH/g
|
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
|
| logP (o/w) : | 2.90 |
| shelf life : | 36.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
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.
|
| Human experience : | 30 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
| |
Oral-Rat 5000.00 mg/kg
|
| Dermal Toxicity(LD50) : | |
| |
Not determined
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 3.00 (μg/capita/day) |
| |
| recommendation for ethylene brassylate fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
|
| recommendation for ethylene brassylate flavor usage levels up to : |
| | 0.5000 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... |
| msds : | msds |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | 1,4-dioxacycloheptadecane-5,17-dione |
| (EINECS) number : | 203-347-8 |
| RTECS : | YQ1927500 for cas# 105-95-3 |
| chemidplus : | 000105953 |
| EPA Substance Registry Services : | 105-95-3 |
| dtp/nci : | 46155 |
references :
|
| | 1,4-dioxacycloheptadecane-5,17-dione |
| fl. number : | 09.533 |
| jecfa number : | 626 |
| NIST Chemistry WebBook : | 4220962603 |
| pubchem : | 197238 |
Cosmetics :
|
| Cosmetic uses : |
masking agents
tonic
|
other :
|
| CosIng : | cosmetic data |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Household Products : | Search |