| Identification | More | [Name]
N-OCTANE | [CAS]
111-65-9 | [Synonyms]
1-Octane
ALKANE C8
N-OCTANE
Oatane
OCTANE
OCTANE FRACTION
OCTANE,N-
Octyl hydride
n-C8H18
n-Octan
octanes
Oktan
oktan(polish)
Oktanen
Ottani
Normal octane
N-OCTANE OEKANAL
#nn-Octane
OCTANE, ANHYDROUS, 99+%
N-OCTANE, 1000MG, NEAT | [EINECS(EC#)]
203-892-1 | [Molecular Formula]
C8H18 | [MDL Number]
MFCD00009556 | [Molecular Weight]
114.23 | [MOL File]
111-65-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Octane is a colorless liquid with a gasoline-like
odor. The odor threshold is 4 ppm and 48 ppm (New
Jersey Fact Sheet). | [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 ]
n20/D 1.398(lit.)
| [Fp ]
60 °F
| [storage temp. ]
Flammables area | [solubility ]
ethanol: soluble(lit.) | [form ]
Liquid | [pka]
>14 (Schwarzenbach et al., 1993) | [color ]
Clear colorless | [Odor]
Like gasoline. | [Stability:]
Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents. | [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). | [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]
111-65-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn,N | [Risk Statements ]
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 Statements ]
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label . | [RIDADR ]
UN 1262 3/PG 2
| [WGK Germany ]
1
| [RTECS ]
RG8400000
| [Autoignition Temperature]
428 °F | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29011000 | [Safety Profile]
Poison by intravenous
route. May act as a simple asphyxiant. See
also ARGON for a description of simple
asphyxiants. A narcotic in high concentration.
Human dermal exposure to
undiluted octane for five hours resulted in
blister formation but no anesthesia;
exposure for one hour caused diffuse
burning sensation. A very dangerous fire
hazard and severe explosion hazard when
exposed to heat, flame, or oxidizers. When
heated to decomposition it emits acrid
smoke and irritating fumes. See also
ALKANES. | [Hazardous Substances Data]
111-65-9(Hazardous Substances Data) | [Toxicity]
LDLo intravenous in mouse: 428mg/kg | [IDLA]
1,000 ppm [10% LEL] |
| Hazard Information | Back Directory | [General Description]
Colorless liquid with an odor of gasoline. Less dense than water and insoluble in water. Hence floats on water. Produces irritating vapor. | [Reactivity Profile]
May be incompatible with strong oxidizing agents like nitric acid. Charring may occur followed by ignition of unreacted material and other nearby combustibles. In other settings, mostly unreactive. Not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, burns exothermically to produce mostly carbon dioxide and water. | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Health Hazard]
Inhalation of concentrated vapor may cause irritation of respiratory tract, depression, and pulmonary edema. Liquid can cause irritation of eyes and (on prolonged contact) irritation and cracking of skin. Ingestion causes irritation of mouth and stomach. Aspiration causes severe lung irritation, rapidly developing pulmonary edema, and central nervous system excitement, followed by depression. | [Potential Exposure]
Octane is used as a solvent; as a
fuel; as an intermediate in organic synthesis; and in
azeotropicdistillations. | [Fire Hazard]
Behavior in Fire: Vapor is heavier than air and may travel a considerable distance to a source of ignition and flash back. | [First aid]
If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts the
skin, remove contaminated clothing and wash immediately
with soap and water. Seek medical attention immediately. If
this chemical has been inhaled, remove from exposure, begin
rescue breathing (using universal precautions, including
resuscitation mask) if breathing has stopped and CPR if heart
action has stopped. Transfer promptly to a medical facility. | [Shipping]
UN1262 Octanes, Hazard Class: 3; Labels:
3-Flammable liquid. | [Incompatibilities]
Reacts with strong oxidizers, causing fire
and explosion hazard. Attacks some forms of plastics, rubber
and coatings. | [Description]
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. | [Chemical Properties]
colourless liquid | [Chemical Properties]
Octane is a colorless liquid with a gasoline-like
odor. The odor threshold is 4 ppm and 48 ppm (New
Jersey Fact Sheet). | [Waste Disposal]
Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator
equipped with an after burner and scrubber. All federal,
state, and local environmental regulations must be observed. | [Physical properties]
Clear, colorless, flammable liquid with a gasoline-like odor. An odor threshold concentration of
1.7 ppmv was reported by Nagata and Takeuchi (1990). | [Uses]
As a constituent in motor and aviation
fuels; as an industrial solvent; in organic
synthesis | [Uses]
n-Octane is used as a solvent and raw material for organic
synthesis reactions and is a very important chemical in the
petroleum industry. It is also widely used in the rubber and
paper processing industries. Isooctane, along with other nalkanes
and isoparaffins, is used in the blending of fuels to
achieve desired antiknock properties. | [Uses]
n-Octane occurs in petroleum crackingproducts, gasoline, petroleum ether, andpetroleum naphtha. It is used as a solventand in organic synthesis. | [Definition]
A liquid alkane
obtained from the light fraction of crude
oil. Octane and its isomers are the principal
constituents of gasoline, which is obtained
as the refined light fraction from crude oil. | [Definition]
ChEBI: A straight chain alkane composed of 8 carbon atoms. | [Production Methods]
Octane is produced from the fractional distillation and
refining of petroleum. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 55, p. 6194, 1990 DOI: 10.1021/jo00312a029
Tetrahedron, 48, p. 8881, 1992 DOI: 10.1016/S0040-4020(01)81987-6
Tetrahedron Letters, 31, p. 5093, 1990 DOI: 10.1016/S0040-4039(00)97814-6 | [Chemical Reactivity]
Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent. | [Carcinogenicity]
The promoting activity of
octane in skin carcinogenesis, including its physical effect on
micellar models of biological membranes, was tested.
Octane proved to have significant promoting activity when
tested as a 75% solution in cyclohexane. | [Source]
Schauer et al. (1999) reported octane in a diesel-powered medium-duty truck exhaust at
an emission rate of 260 μg/km.
Identified as one of 140 volatile constituents in used soybean oils collected from a processing plant that fried various beef, chicken, and veal products (Takeoka et al., 1996).
Schauer et al. (2001) measured organic compound emission rates for volatile organic
compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds
from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission
rate of octane was 1.7 mg/kg of pine burned. Emission rates of octane were not measured during
the combustion of oak and eucalyptus.
California Phase II reformulated gasoline contained octane at a concentration of 6.38 g/kg. Gasphase
tailpipe emission rates from gasoline-powered automobiles with and without catalytic
converters were 1.07 and 131 mg/km, respectively (Schauer et al., 2002). | [Environmental Fate]
Biological. n-Octane may biodegrade in two ways. This first is the formation of octyl
hydroperoxide, which decomposes to 1-octanol followed by oxidation to octanoic acid. The other
pathway involves dehydrogenation to 1-octene, which may react with water giving 1-octanol
(Dugan, 1972). 1-Octanol was reported as the biodegradation product of octane by a Pseudomonas
sp. (Riser-Roberts, 1992). Microorganisms can oxidize alkanes under aerobic conditions (Singer
and Finnerty, 1984). The most common degradative pathway involves the oxidation of the
terminal methyl group forming the corresponding alcohol (1-octanol). The alcohol may undergo a
series of dehydrogenation steps forming an aldehyde (octanal) then a fatty acid (octanoic acid).
The fatty acid may then be metabolized by β-oxidation to form the mineralization products,
carbon dioxide and water (Singer and Finnerty, 1984).
Photolytic. The following rate constants were reported for the reaction of octane and OH
radicals in the atmosphere: 5.1 x 10-12 cm3/molecule?sec at 300 K (Hendry and Kenley, 1979); 1.34
x 10-12 cm3/molecule?sec (Greiner, 1970); 8.40 x 10-12 cm3/molecule?sec (Atkinson et al., 1979),
8.42 x 10-12 cm3/molecule?sec at 295 K (Darnall et al., 1978). Photooxidation reaction rate
constants of 8.71 x 10-12 and 1.81 x 10-18 cm3/molecule?sec were reported for the reaction of octane
with OH and NO3, respectively (Sablji? and Güsten, 1990).
Surface Water. Mackay and Wolkoff (1973) estimated an evaporation half-life of 3.8 sec from a
surface water body that is 25 °C and 1 m deep.
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor.
Octane will not hydrolyze because it does not contain a hydrolyzable functional group. | [storage]
Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with this chemical you should be trainedon its proper handling and storage. Before entering confinedspace where this chemical may be present, check to makesure that an explosive concentration does not exist. Octanemust be stored to avoid contact with strong oxidizers (suchas chlorine and bromine) because violent reactions occur.Store in tightly closed containers in a cool, well-ventilatedarea away from heat. Sources of ignition, such as smokingand open flames, are prohibited where octane is used, handled, or stored. Metal containers used in the transfer of 5gallons or more of octane should be grounded and bonded.Drums must be equipped with self-closing valves, pressurevacuum bungs, and flame arresters. Use only nonsparkingtools and equipment, especially when opening and closingcontainers of octane. | [Purification Methods]
Extract the octane repeatedly with conc H2SO4 or chlorosulfonic acid, then wash it with water, dry and distil it. Alternatively, purify it by azeotropic distillation with EtOH, followed by washing with water to remove the EtOH, drying and distilling it. For further details, see n-heptane. It is also purified by zone melting. [Beilstein 1 H 159, 1 I 60, 1 II 122, 1 III 457, 1 IV 412.] | [Toxicity evaluation]
The mechanism of toxicity is suspected to be similar to other
solvents that rapidly induce anesthesia-like effects, i.e.,
a ‘nonspecific narcosis’ due to disruption (solvation) of the
integrity of the cellular membranes of the central nervous
system (CNS).
Octane is generally considered to be relatively nontoxic
relative to the effect seen following exposure to other aliphatic
hydrocarbons. This is probably due to the fact that it is less
volatile than the shorter chain aliphatic hydrocarbons (e.g.,
pentane or heptane) and may not be as readily transferred
across either the pulmonary alveoli or the blood–brain barrier.
If it is aspirated into the lungs, however, n-octane will cause
adverse effects similar to effects seen following aspiration of
other petroleum distillates or compounds. |
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