n-オクタン

log Kow = 5.18

5.18

4.00/5.18

0.703 at 68 °F (USCG, 1999) - Less dense than water; will float

0.6986 g/cu cm at 25 °C

Relative density (water = 1): 0.70

0.7

0.7036 @25 °C

0.70

Colorless liquid

Clear liquid

7e-05 % at 77 °F (NIOSH, 2024)

In water, 0.66 mg/L at 25 °C

Soluble in ethyl ether; miscible with ethanol, acetone, benzene

Miscible with benzene, petroleum ether, gasoline; soluble in ether; slightly soluble in alcohol

0.00066 mg/mL

Solubility in water: none

56 °F (USCG, 1999)

56 °F (13 °C) (Closed cup)

72 °F (22 °C) (Open cup)

13 °C c.c.

56 °F

56 °F

258.1 °F at 760 mmHg (USCG, 1999)

125.62 °C

125.00 to 126.00 °C. @ 760.00 mm Hg

126 °C

258 °F

125.8 °C @760 [mm Hg]

-70.2 °F (USCG, 1999)

-56.73 °C

-56.8 °C

-56.8 °C

-70 °F

-70 °F

3.86 (Air= 1)

Relative vapor density (air = 1): 3.94

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]；H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315: Causes skin irritation [Warning Skin corrosion/irritation]；H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

Chemical: Octane

Octane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10378

Octane: HSNO Approval: HSR001415 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Behavior in Fire: Vapor is heavier than air and may travel a considerable distance to a source of ignition and flash back. (USCG, 1999)

Highly flammable. Vapour/air mixtures are explosive.

A very dangerous fire hazard and severe explosion hazard when exposed to heat, flame, or oxidizers.

Flammable

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. (USCG, 1999)

A skin, eye, and respiratory tract irritant; Ingestion can cause aspiration into the lungs; Inhalation may cause lowering of consciousness; [ICSC] Inhalation of vapor may cause giddiness, vertigo, headache, anesthetic stupor, and convulsions; Five hour dermal exposure causes blisters but no anesthesia; [HSDB] A skin irritant; Inhalation may cause drowsiness or dizziness; An aspiration hazard by ingestion (may cause lung injury); [Sigma-Aldrich MSDS]

Fire Extinguishing Agents Not to Be Used: Water may be ineffective.；Fire Extinguishing Agents: Dry chemical, foam, carbon dioxide (USCG, 1999)

Use powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Do NOT induce vomiting. Give nothing to drink. Refer for medical attention .

Excerpt from NIOSH Pocket Guide for Octane:；Eye: IRRIGATE IMMEDIATELY - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.；Skin: SOAP WASH PROMPTLY - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water. Get medical attention promptly.；Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.；Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)

(General first aid procedures)；Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.；Skin: Soap wash promptly - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water. Get medical attention promptly.；Breathing: Respiratory support；Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water.

Water may be ineffective.

Wear self contained breathing apparatus for fire fighting if necessary.

Evacuate danger area! Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Personal protection: self-contained breathing apparatus.

1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quantities, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected & atomized in a suitable combustion chamber. Octane should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.；LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. contact a licensed professional waste disposal service to dispose of this material.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Evacuate danger area! Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Personal protection: self-contained breathing apparatus.

n-Octane concentrations in outdoor and personal air in two areas of California(1).[Table#334]

n-Octane was detected in 7 of 12 samples of mothers breast milk from the cities of Bayonne NJ, Jersey City NJ, Bridgeville PA and Baton Rouge LA(1). The air expired from humans contained n-octane in 27.7% of the 387 samples collected from 54 subjects(2). The avg n-octane concn of 0.296 ng/l was expressed as the geometric mean with upper and lower limits of 1.10 and 0.079 respectively(2). The breath samples of 110 residents from Los Angeles, CA in Feb 1984, contained n-octane at an avg concn of 1.0 ug/cu m(3). The avg octane concn in the breath of 24 Los Angeles residents in May 1984 was 1.2 ug/cu m(3). For residents of Contra Costa, CA in June 1984 the avg n-octane concn of 67 breath samples was 0.6 ug/cu m(3).

Rabbits with acute intoxication by inhaling carbon monoxide alone or in association with octane at concentration of 5000 ppm were compared by the physiogram method. Hydrocarbons aggravated the cardiovascular phenomena caused by carbon monoxide and although they are central excitants they further degraded EEG activity.

Alkaline phosphatase activity in liver, spleen, and bone marrow were increased in female rats exposed to n-octane ... for 2 and 7 days. The increase in splenic alkaline phosphatase activity persisted for up to 42 days after a single dose ... Pretreatment with protein formation inhibitors, cycloheximide or ethionine, removed this observed increase of alkaline phosphatase activity in liver and spleen.

LC50; Species: Artemia salina (Brine Shrimp) nauplii; Conditions: saltwater, static, 20 °C; Concentration: 3.5 mmol/cu m for 24 hr /> or =97% purity/

EC50; Species: Daphnia magna (Water Flea) age 4-6 days, length 1.5 mm; Conditions: freshwater, static, 23 °C, pH 6-7, dissolved oxygen 5-9 mg/L; Concentration: 3.3 mmol/cu m for 48 hr (95% confidence interval: 2.7-4 mmol/cu m); Effect: intoxication, immobilization /> or =97% purity/

LC50; Species: Daphnia magna; Concentration: 0.38 mg/L for 48 hr /Conditions of bioassay not specified/

EC50; Species: Mytilus edulis (Common Bay Mussel); Conditions: saltwater, static, 15 °C; Concentration: 120 ug/L for <1.67 hr (95% confidence interval: 100-130 ug/L); Effect: intoxication, immobilization /> or =98% purity/

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3.1X10+4(SRC), determined from a log Kow of 5.18(2) and a regression-derived equation(3), indicates that n-octane is expected to be immobile in soil(SRC). Volatilization of n-octane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.21 atm-cu m/mole(SRC), derived from its vapor pressure, 14.1 mm Hg(4), and water solubility, 0.66 mg/L(5). However, adsorption to soil is expected to attenuate volatilization(SRC). n-Octane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). n-Octane, present at one mg/mL silt loam soil suspension, exhibited average Theoretical biological oxygen demands of 13, 58, 70 and 69% after 2, 5, 10 and 20 days, respectively(6), suggesting that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3.1X10+4(SRC), determined from a log Kow of 5.18(2) and a regression-derived equation(3), indicates that n-octane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 3.2 atm-cu m/mole(SRC), derived from its vapor pressure, 41.1 mm Hg(5), and water solubility, 0.66 mg/L(6). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 3 hrs and 4 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 11 months if adsorption is considered(7). According to a classification scheme(8), an estimated BCF of 1200(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). When evaporation rates are low, biodegradation of n-octane under aerobic conditions may be important in water(SRC). For example, a 49% loss of n-octane occurred within 5 days and completely disappeared within 15 days when 1 mL of crude oil was added to a 100 mL simulated seawater solution inoculated with sediment samples from Fukae of Kobe harbor, Japan and incubated at 20 °C(9). Although complete recovery was reported for the control samples, no account was made of volatilization losses(SRC). In a similar study using a jet fuel mixture and freshwater at 25 °C, a 99% loss of n-octane in sample controls was attributed to evaporation(10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-octane, which has a vapor pressure of 14.1 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-octane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 44 hrs(SRC), calculated from its rate constant of 8.68X10-12 cu cm/molecule-sec at 25 °C(3). Experimental data also showed that 33.2% of the n-octane fraction in a dark chamber reacted with nitrate radicals to form the corresponding alkyl nitrate(4,5), suggesting nighttime reactions with nitrate radicals may contribute to the atmospheric transformation of n-octane, especially in urban environments(SRC). n-Octane does not contain chromophores that absorb at wavelengths >290 nm(6) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

n-Octane was identified as a volatile component of fried bacon(1), roasted filberts(2), nectarines(3), and beaufort cheese(4). The concn of n-octane in duck meat, duck fat, Cantonese style roasted duck, and Cantonese style roasted duck gravy were 3.87, 18.23, 94.58, and 73.46 ppb on wet basis(5). n-Octane was emitted at a rate of 38 mg/kg of hamburger meat cooked over a natural gas fired grill(6).

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, ingestion, skin and/or eye contact

Oral (L400) ; inhalation (L400) ; dermal (L400)

Chemical: Octane

Octane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10378

Octane: HSNO Approval: HSR001415 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Octane is metabolized to hydroxy derivatives via a cytochrome p450 oxidase system, but it may not occur as extensively as for shorter-chain alkenes. The 1-octanol formed is conjugated with glucuronic acid or undergoes further oxidation to octanoic acid.

Metabolism of n-octane occurs at the terminal carbon atom to yield 1-octanol as the major biotransformation product in rat liver microsomes. It appears that omega-1 hydroxylation of n-octane does not occur as extensively as for shorter chain alkanes (eg n-heptane and n-hexane). The 1-octanol formed is further conjugated with glucuronic acid or undergoes further oxidation to octanoic acid (caprylic acid).

The urinary metabolites of n-octane in Fischer 344 rats given the hydrocarbon by gavage included 2-octanol, 3-octanol, 5-oxohexanoic acid, and 6-oxoheptanoic acid. The sex of the animals influenced the relative amounts of metabolites formed. Analyses were performed by gas-liquid chromatography (GC) and gas-liquid chromatography/mass spectrometry (GC/MS). This is the first reported finding of keto acids in hydrocarbon oxidative metabolism. No kidney damage was found as a result of n-octane dosing although the 2,2,4-trimethylpentane (iso-octane) isomer does cause kidney lesions in male rats.

Volatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)

The distribution of n-octane in blood, liver, kidney, and brain of mice was studied at different inspired air concentrations and after different exposure times. The air concentrations varied between 10 and 10,000 ppm and the exposure time, between 0.5 and 24 hr. There was a linear dependence between inspired air concentration and tissue concentration at fixed exposure times. A correlation between blood and organ concentration was observed in animals exposed at different inhalation air concentration but not in animals exposed only at one fixed concentration. A two-compartment pharmacokinetic model was assumed with experimental data for n-octane.

Dermal absorption of n-octane has been studied by ... in vitro percutaneous methods. The rate of dermal penetration for n-octane through rat skin ... /is/ 0.6 ng/sq cm/hr. This indicates n-octane is poorly absorbed through the skin. ... Like most alkanes, the greatest affinity for n-octane is seen in the adipose tissue.

Inhalation is the major route of absorption of octane.

To determine if inhaled nephrotoxic branched and nonnephrotoxic straight chain alkanes differ substantially in their biological fate, male F344 rats were exposed to 14C-labeled isooctane and octane vapors at approximately 1 and 350 ppm by the nose-only mode for 2 hr. Radioactivity in exhalant, urine, and feces was determined for 70 hr post exposure, after which residual radioactivity in the rat carcasses was determined. Absorbed [14C]isooctane equivalents were eliminated almost exclusively via the kidneys, while absorbed [14C]octane equivalents were excreted about equally via the kidneys and as 14CO2. Kidney excretion of isooctane-introduced 14C was protracted over the entire 70 hr postexposure observation period whereas for octane-introduced 14C, kidney excretion was essentially complete after 10-20 hr. About 5% of the [14C]octane equivalents inhaled at 1 ppm remained in the carcass 70 hr after inhalation exposure. Two percent of the [14C]octane equivalents inhaled at 350 ppm and 1-2% of the [14C]isooctane equivalents inhaled at either 1 or 350 ppm remained in the carcass 70 hr after inhalation exposure. The different patterns of excretion of metabolites of isooctane compared to octane may be a factor affecting the differences in nephrotoxicity between these two compounds.

Used as a solvent, chemical raw material, antiknock agent for high compression engine fuels, lacquer diluent, carrier solvent in polymer manufacturing, blowing agent for foam rubber used in rocket propellants, for calibrations, and azeotropic distillations; [HSDB]

Painting (Solvents) [Category: Paint]

It is used as a solvent, a chemical raw material, and an important chemical agent in the petroleum industry. Octane offers desirable blending values that achieve certain antiknock and combustion qualities for high compression engine fuels.

As an industrial solvent, lacquer diluent, and carrier solvent in the manufacturing of polymers; as a blowing agent for foam rubber used in rocket propellants

Organic synthesis, calibrations, azeotropic distillations

Octanes may be found in gasoline. (L1296)

2023: 100,000,000 - <500,000,000 lb；2022: 70,000,000 - <85,000,000 lb；2021: 400,000,000 - <550,000,000 lb；2020: 100,000,000 - <500,000,000 lb

(1972) PROBABLY GREATER THAN 4.54X10+5 G

(1975) PROBABLY GREATER THAN 4.54X10+5 G

(1984) 7.83X10+11 g /n-Paraffins/

Octane is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

For more U.S. Production (Complete) data for N-OCTANE (7 total), please visit the HSDB record page.

From the fractional distillation and refining of petroleum.

n-Alkanes having more than six carbon atoms are not isolated individually but as mixtures of several homologues. Suitable sources are the appropriate petroleum distillate fractions, from which the n-paraffins can be isolated in high isomeric purity (greater than or equal to 95% linearity) by selective separation (eg, molecular sieve separation or urea extractive crystallization). /Higher n-Alkanes/

Petroleum Refineries；Plastics Material and Resin Manufacturing；All Other Chemical Product and Preparation Manufacturing；Not Known or Reasonably Ascertainable；Plastics Product Manufacturing；Oil and Gas Drilling, Extraction, and Support activities；Transportation Equipment Manufacturing

Octane: ACTIVE

Found in petroleum

n-Nonane, n-heptane and n-octane are components at 18.35% by weight of naphtha which is used as a diluent in processing of bitumen from oil sands