Octane , Pure chromatography,> 99%(GC) , 111-65-9
Synonym(s):
n-Octane;n-Octane
CAS NO.：111-65-9
Empirical Formula: C8H18
Molecular Weight: 114.23
MDL number: MFCD00009556
EINECS: 203-892-1
PRODUCT Properties
| Melting point: | −57 °C(lit.) |
| Boiling point: | 125-127 °C(lit.) |
| Density | 0.703 g/mL at 25 °C(lit.) |
| vapor density | 3.9 (vs air) |
| vapor pressure | 11 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point: | 60 °F |
| storage temp. | Store below +30°C. |
| solubility | ethanol: soluble(lit.) |
| form | Liquid |
| pka | >14 (Schwarzenbach et al., 1993) |
| color | Clear colorless |
| Odor | Like gasoline. |
| explosive limit | 0.8-6.5%(V) |
| Odor Threshold | 1.7ppm |
| Water Solubility | 0.0007 g/L (20 ºC) |
| Merck | 14,6749 |
| BRN | 1696875 |
| Henry's Law Constant | 4.45 at 25 °C (J?nsson et al., 1982) |
| Dielectric constant | 1.1（-4℃） |
| Exposure limits | TLV-TWA 300 ppm (～1450 mg/m3)
(ACGIH and NIOSH), 500 ppm
(～2420 mg/m3) (OSHA); STEL 375 ppm
(～1800 mg/m3). |
| Stability: | Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents. |
| InChIKey | TVMXDCGIABBOFY-UHFFFAOYSA-N |
| LogP | 5.15 |
| CAS DataBase Reference | 111-65-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Octane(111-65-9) |
| EPA Substance Registry System | Octane (111-65-9) |
Description and Uses
Octane is a colorless liquid with a gasolinelike odor. The odor threshold is 4 ppm and 48 ppm (NewJersey Fact Sheet). Molecular weight = 114.26; Specificgravity (H2O:1)= 0.70; Boiling point = 125.6℃; Freezing/Melting point = 256.7℃; Vapor pressure =10 mmHg at20℃; Flash point =13℃(cc); Autoignition temperature =206℃. Explosive limits: LEL 5 1.0%; UEL = 6.5%.Hazard Identification (based on NFPA-704 M RatingSystem): Health 0, Flammability 3, Reactivity 0. Practicallyinsoluble in water; solubility = 7 × 10-5.
n-Octane occurs in petroleum crackingproducts, gasoline, petroleum ether, andpetroleum naphtha. It is used as a solventand in organic synthesis.
Safety
| Symbol(GHS) |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225-H304-H315-H336-H410 |
| Precautionary statements | P210-P233-P273-P301+P310-P303+P361+P353-P331 |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN 1262 3/PG 2 |
| OEB | A |
| OEL | TWA: 75 ppm (350 mg/m3), Ceiling: 385 ppm (1800 mg/m3) [15-minute] |
| WGK Germany | 1 |
| RTECS | RG8400000 |
| Autoignition Temperature | 428 °F |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29011000 |
| Hazardous Substances Data | 111-65-9(Hazardous Substances Data) |
| Toxicity | LDLo intravenous in mouse: 428mg/kg |
| IDLA | 1,000 ppm [10% LEL] |
