NSC 7334
n-Hexadecane
CAS: 544-76-3
Molecular Formula: C16H34
NSC 7334 - Names and Identifiers
| Name | n-Hexadecane |
| Synonyms | Cetane n-Cetane NSC 7334 HSDB 6854 AI3-06522 Hexadecane CCRIS 5833 BRN 1736592 n-Hexadecane UNII-D3AEF6S35P Hexadecane,Cetane n-Hexadecane 2g [544-76-3] Hexadecane [Standard Material for GC] 4-01-00-00537 (Beilstein Handbook Reference) Reference Material for Flash Point Certified by The Japan Petroleum Institute, Hexadecane |
| CAS | 544-76-3 |
| EINECS | 208-878-9 |
| InChI | InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
NSC 7334 - Physico-chemical Properties
| Molecular Formula | C16H34 |
| Molar Mass | 226.44 |
| Density | 0.773 g/mL at 25 °C(lit.) |
| Melting Point | 18°C(lit.) |
| Boling Point | 287°C(lit.) |
| Specific Rotation(α) | n20/D 1.434 (lit.) |
| Flash Point | 275°F |
| Water Solubility | This product is soluble in acetone, alcohol, ether. It is insoluble in water.Soluble in alcohol, acetone, chloroform, and ether. insoluble in water |
| Solubility | Insoluble in water, slightly soluble in ethanol, easily soluble in ether. |
| Vapor Presure | 1 mm Hg ( 105.3 °C) |
| Vapor Density | 7.8 (vs air) |
| Appearance | Colorless liquid |
| Specific Gravity | 0.775 (25/4℃) |
| Color | Colorless |
| BRN | 1736592 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | n20/D 1.434(lit.) |
| MDL | MFCD00008998 |
| Physical and Chemical Properties | Colorless liquid. Melting point of 18.17 deg C, boiling point of 287 deg C, 149 deg C (1.33kPa); The relative density of 0.77331(20/4 deg C), the refractive index of 1.4335. Flash point 135 °c. Miscible with ether and petroleum ether, slightly soluble in hot ethanol, insoluble in water. |
| Use | Used as a solvent, but also for organic synthesis |
NSC 7334 - Risk and Safety
| Risk Codes | R38 - Irritating to the skin R66 - Repeated exposure may cause skin dryness or cracking R65 - Harmful: May cause lung damage if swallowed R36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S37 - Wear suitable gloves. |
| WGK Germany | 3 |
| RTECS | ML9200000 |
| TSCA | Yes |
| HS Code | 2901 10 00 |
NSC 7334 - Reference Information
| LogP | 8.2 at 25℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used as solvent, gas chromatography comparison sample, standard substance for determination of diesel combustion quality. The decane number of diesel fuel is equal to the percentage of the standard fuel (a mixture of decane and a-methylnaphthalene) with the same combustion quality as the diesel fuel under the specified working conditions. The value of decane is between 40-55. In recent years, the 2,2,4,4,6,6,8,8-heptamethylnonane (HMN) used for synthesis has replaced a-methylnaphthalene as the standard substance, and its decane number is specified as 15. The decadecane number of standard fuel is calculated by the following formula: decadecane = 100 ×(% decadecane) +15 ×(%HMN) such as a mixture containing 35% decadecane and 65% HMN, the base decadecane number is: 100 × 0.35+15 × 0.65=45 used as a solvent, also used in organic synthesis |
| Production method | Prepared by 1-hexadecene catalytic chlorination. Add glacial acetic acid to cross iodide decane and zinc powder outside the laboratory, saturate with dry hydrogen chloride, and then heat and react. The generated decane floats on the liquid surface and is distilled under reduced pressure to obtain the finished product. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | intravenous injection-mouse LDL0: 9821 mg/kg |
| stimulation data | skin-rabbit 100 mg/24 hours severe |
| explosive hazard characteristics | mixed with air, heated, open flame can explode |
| flammability hazard characteristics | flammable; combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, water |
| auto-ignition temperature | 395 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:55:45
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