Normal octane
n-Octane
CAS: 111-65-9
Molecular Formula: C8H18
Normal octane - Names and Identifiers
| Name | n-Octane |
| Synonyms | OCTANE Oatane Octane 1-Octane N-OCTANE n-Octane ALKANE C8 OCTANE,N- Alkane C(8) Octyl hydride Normal octane OCTANE FRACTION |
| CAS | 111-65-9 |
| EINECS | 203-892-1 |
| InChI | InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | TVMXDCGIABBOFY-UHFFFAOYSA-N |
Normal octane - Physico-chemical Properties
| Molecular Formula | C8H18 |
| Molar Mass | 114.23 |
| Density | 0.703g/mLat 25°C(lit.) |
| Melting Point | −57°C(lit.) |
| Boling Point | 125-127°C(lit.) |
| Flash Point | 60°F |
| Water Solubility | 0.0007 g/L (20 ºC) |
| Solubility | ethanol: soluble(lit.) |
| Vapor Presure | 11 mm Hg ( 20 °C) |
| Vapor Density | 3.9 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Odor | Like gasoline. |
| Exposure Limit | TLV-TWA 300 ppm (～1450 mg/m3)(ACGIH and NIOSH), 500 ppm(～2420 mg/m3) (OSHA); STEL 375 ppm(～1800 mg/m3). |
| Merck | 14,6749 |
| BRN | 1696875 |
| pKa | >14 (Schwarzenbach et al., 1993) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents. |
| Explosive Limit | 0.8-6.5%(V) |
| Refractive Index | n20/D 1.398(lit.) |
| Physical and Chemical Properties | Colorless transparent liquid. Boiling point 125.665 ° C, melting point -56.8. Relative density (20/4 ℃)0.7025, refractive index (nD20)1.3974. Miscible in acetone, benzene, chloroform and petroleum ether, soluble in ether, ethanol-soluble, insoluble in water. Flash point 13 °c. |
| Use | Is one of the components of industrial gasoline, can also be used as a solvent and raw material for organic synthesis |
Normal octane - Risk and Safety
| Risk Codes | R11 - Highly Flammable R38 - Irritating to the skin R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R65 - Harmful: May cause lung damage if swallowed R67 - Vapors may cause drowsiness and dizziness |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. |
| UN IDs | UN 1262 3/PG 2 |
| WGK Germany | 1 |
| RTECS | RG8400000 |
| TSCA | Yes |
| HS Code | 29011000 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LDLo intravenous in mouse: 428mg/kg |
Normal octane - Reference Information
| olfactory Threshold | 1.7ppm |
| Henry's Law Constant | 4.45 at 25 °C (J?nsson et al., 1982) |
| LogP | 5.15 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. The reference solution was analyzed by chromatography. used as solvent and chromatographic analysis reference liquid is one of the components of industrial gasoline, and can also be used as solvent and organic synthesis raw material solvent. Organic Synthesis. Standard for gas chromatographic analysis. |
| production method | octane is present in petroleum. Laboratory preparations can be synthesized from bromobutane. 68.5g(0.5mol) of bromobutane was added in portions to a flask containing 23g(1mol) of fine strip sodium metal and, if not reacted, heated slightly. After addition, the reactants were placed for 1-2H, and ethanol and water were refluxed for 3H to hydrolyze the bromobutane, separate the upper organic phase, wash with water, dry with anhydrous magnesium sulfate, the 1.23-126 °c fraction was collected by fractional distillation to give 15g of N-octane. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | inhalation-rat LC50: 118000 mg/m3/4 h |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | flammability; Combustion stimulus smoke |
| storage and transportation characteristics | low temperature ventilation and drying of the warehouse; Anti-Flame; Spark; Friction; separate from oxidant |
| extinguishing agent | dry powder, foam, carbon dioxide, dry powder |
| Occupational Standard | TWA 1450 mg/m3; Tel 1750 mg/m3 |
| spontaneous combustion temperature | 428 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentrations | 1,000 ppm [10% LEL] |
Last Update：2024-04-10 22:29:15
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