| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 1-(1-butoxyethoxy)butane |
| InChI : | InChI=1/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3 |
| InChIKey : | SWTCCCJQNPGXLQ-UHFFFAOYAN |
| SMILES : | CCCCOC(C)OCCCC |
| cas number : | 871-22-7 |
| (EINECS) number : | 212-804-0 |
| beilstein number : | 1698922 |
| coe number : | 2341 |
| fl. number : | 06.033 |
| molar refractivity : | 51.82 ± 0.3 cm3 |
| parachor : | 466.7 ± 4.0 cm3 |
| index of refraction : | 1.415 ± 0.02 |
| surface tension : | 25.9 ± 3.0 dyne/cm |
| density : | 0.843 ± 0.06 g/cm3 |
| polarizability : | 20.54 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| XlogP3-AA : | 3.00 |
| molecular weight : | 174.2804800 (IUPAC) |
| formula : | C10 H22 O2 |
| BioActivity Analysis : | 71447 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
|
| Inoue : | ACETALDEHYDE DIBUTYL ACETAL
|
| Nanjing : | 1,1'-[ethylidenebis(oxy)]dibuta
orders in chinese. |
organoleptics :
|
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | rose green chloroform |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| boiling point : | 191.00 to 193.00 °C. @ 760.00 mm Hg
|
| flash point : | 115.00 °F. TCC ( 46.11 °C. )
|
| logP (o/w) : | 3.27 |
safety :
|
| Oral Toxicity(LD50) : | |
| |
Oral-Rat 8790.00 mg/kg (Smyth et al., 1954)
|
| 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) : | 0.073 (μg/capita/day) |
| |
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 |
| |
| |
| |
| | 1-(1-butoxyethoxy)butane |
| (EINECS) number : | 212-804-0 |
| chemidplus : | 000871227 |
| EPA Substance Registry Services : | 871-22-7 |
| dtp/nci : | 5314 |
references :
|
| | 1-(1-butoxyethoxy)butane |
| fl. number : | 06.033 |
| NIST Chemistry WebBook : | 3596152294 |
| pubchem : | 656137 |
other :
|