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| IUPAC name : | undecane |
| InChI : | InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 |
| InChIKey : | RSJKGSCJYJTIGS-UHFFFAOYAC |
| SMILES : | CCCCCCCCCCC |
| cas number : | 1120-21-4 |
| (EINECS) number : | 214-300-6 |
| beilstein number : | 1697099 |
| molar refractivity : | 53.01 ± 0.3 cm3 |
| parachor : | 469.7 ± 4.0 cm3 |
| index of refraction : | 1.418 ± 0.02 |
| surface tension : | 24.9 ± 3.0 dyne/cm |
| density : | 0.743 ± 0.06 g/cm3 |
| polarizability : | 21.01 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| molecular weight : | 156.3082600 |
| formula : | C11 H24 |
| BioActivity Analysis : | 48414881 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Sigma-Aldrich-SAFC : | Undecane
≥99% |
organoleptics :
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properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.74000 @ 25.00 °C.
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| refractive index : | 1.41700 @ 20.00 °C.
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| melting point : | -26.00 °C. @ 760.00 mm Hg
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| boiling point : | 195.00 to 198.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.41200 mm/Hg @ 25.00 °C. |
| vapor density : | 5.4 ( Air = 1 ) |
| flash point : | 140.00 °F. TCC ( 60.00 °C. )
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| logP (o/w) : | 6.50 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 65 - Harmful: may cause lung damage if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
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| Oral Toxicity(LD50) : |
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intravenous-Mouse 517.00 mg/kg Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat >442.00 ppm/8H Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.
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safety in use :
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2330 |
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| WGK Germany : | 3 |
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| | undecane
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| (EINECS) number : | 214-300-6 |
| RTECS : | YQ1525000 for 1120-21-4 |
| chemidplus : | 001120214 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 1120-21-4 |
| dtp/nci : | 66159 |
references :
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| | undecane
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| NIST Chemistry WebBook : | 3188137211 |
| pubchem : | 157541 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |