ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /化合物

n-オクタン

Octane

HCID 356
ノートを作成反応を作成見積依頼を出す
印刷プレビュー

データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます

基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
111-65-9
標準SMILES
CCCCCCCC
InChIKey
TVMXDCGIABBOFY-UHFFFAOYSA-N
分子式
C8H18
平均分子量
114.23 g/mol
単同位体質量
114.14085057

概要

N-octane is a colorless liquid with an odor of gasoline. Less dense than water and insoluble in water. Hence floats on water. Produces irritating vapor.

名称と識別子

優先名称
Octane
IUPAC
octane
現地名
n-オクタン
英語名
N-OCTANE
分子式
C8H18
分子量
114.23

名称と別名

octanen-octane111-65-9OktanOktanenOttaninormal-OctaneDTXSID0026882X1RV0B2FJVNSC-9822DTXCID406882CHEBI:17590
名称をさらに表示
n-オクタンn-オクタン [高速液体クロマトグラフィー用]ノルマルオクタンオクタン1-メチルヘプタンn-オクタン [GC用標準物質]n-オクタン [吸光分析用]N‐オクタンオクタン PURISS. P.A.,≥99.0% (GC)N-オクタン, 98+%オクタン, N-n - オクタンオクタン,n-オクタンnーオクタンOctan1-OctaneOataneoctanesn-OctanOCTANE,N-n-C8H18
RefChem:6664203-892-1608-610-4Heptane, methyl-n-OktanOktanen [Dutch]Oktan [Polish]Ottani [Italian]

データベース識別子

CAS
111-65-9、31372-91-5
PubChem CID
356
DTXSID
DTXSID0026882
ChEMBL
CHEMBL134886
ChEBI
CHEBI:17590
UNII
X1RV0B2FJV
EC Number
203-892-1、608-610-4
Nikkaji
J10.709C

物性

構造計算による物性補完中

XLogP
3.9
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
5
重原子数
8
形式電荷
0
複雑度
25

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesGibbs energy
LogP · 4 件

log Kow = 5.18

5.18

4.00/5.18

5.18

OdorGasoline-like
Density · 6 件

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

Viscosity0.5151 cP at 25 °C
Color/Form · 2 件

Colorless liquid

Clear liquid

Solubility · 6 件

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

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

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

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

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)

REACH registered substance: Octane (EC: 203-892-1)

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.)

DOT LabelFlammable Liquid
Fire Hazards · 2 件

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.

Fire Potential · 2 件

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

Flammable

化学と産業

薬理情報

Metabolism/Metabolites · 4 件

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)

Absorption, Distribution and Excretion · 4 件

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.

関連反応

139 件
反応記録を作成
HRID 5300 の反応式
HRID 5300溶媒としてuspto-grants-1993_09
HRID 41286 の反応式
HRID 41286溶媒としてuspto-grants-2013_09
HRID 110379 の反応式
HRID 110379生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 126684 の反応式
HRID 126684溶媒としてuspto-grants-1981_03
HRID 127037 の反応式
HRID 127037溶媒としてuspto-grants-1981_03
HRID 127038 の反応式
HRID 127038溶媒としてuspto-grants-1981_03
HRID 133638 の反応式
HRID 133638反応物としてuspto-grants-2008_06
HRID 134141 の反応式
HRID 134141反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
1 / 18 ページ

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す

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

0.00066 mg/mL

Solubility in water: none

CorrosivityWill attack some forms of plastics, rubber, and coatings.
Flash Point · 6 件

56 °F (USCG, 1999)

56 °F (13 °C) (Closed cup)

72 °F (22 °C) (Open cup)

13 °C c.c.

56 °F

56 °F

物理化学的性質

融点
57 °C · −57 °C(lit.)
沸点
125 · 125-127 °C(lit.)
比重(密度)
0.703 g/mL · 0.703 g/mL at 25 °C(lit.)
蒸気密度
3.9 · 3.9 (vs air)
蒸気圧
11 mm · 11 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.398(lit.)
闪点
60 °F · 60 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
エタノール: 可溶(点灯)
外見
液体
酸解離定数(Pka)
14 · >14 (Schwarzenbach et al., 1993)
色
無色透明
臭い (Odor)
ガソリンのように。
爆発限界(explosive limit)
0.8 · 0.8-6.5%(V)
臭気閾値(Odor Threshold)
1.7 ppm · 1.7ppm
水溶解度
0.0007 g/L · 0.0007g/L (20℃)
比熱容量
2.23 J/ · Cp(liquid): 2.23 J/(g·K), at 25℃
Merck
14 · 14,6749
BRN
1696875 · 1696875
Henry's Law Constant
4.45 at · 4.45 at 25 °C (Jnsson et al., 1982)
Dielectric constant
1.1 · 1.1(-4℃)
安定性
安定。とても燃えやすい。空気と爆発性混合物を容易に形成します。酸化剤と相容れない。
化粧品成分の機能
溶媒
InChI
1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey
TVMXDCGIABBOFY-UHFFFAOYSA-N
SMILES
CCCCCCCC
LogP
5.15 · 5.15
表面張力
21.1 mN/m · 21.1mN/m at 298.15K
CAS データベース
111 · 111-65-9(CAS DataBase Reference)
NISTの化学物質情報
Octane(111-65-9)
EPAの化学物質情報
Octane (111-65-9)

化学的性質

化学的特性colourless liquid

化学性质分子式C8H18沸点約125°C密度0703gcm320°Cにおいて無色透明な液体

Health Hazards · 1 件

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)

Hazards Summary · 1 件

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]

DOT ID and Guide1262 128
Reactive GroupHydrocarbons, Aliphatic Saturated
EC ClassificationSymbol: F, Xn, N; R: 11-38-50/53-65-67; S: (2)-9-16-29-33-60-61-62; Note: C
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Reactivity AlertsHighly Flammable
OSHA StandardsPermissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 500 ppm (2350 mg/cu m).

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents Not to Be Used: Water may be ineffective.

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

First Aid Measures · 4 件

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 .

First Aid · 2 件

Excerpt from NIOSH Pocket Guide for Octane:

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants. Cool. Ventilation along the floor.
Firefighting HazardsContainers may explode in fire. Flashback along vapor trail may occur.
Exposure Control and Personal Protection500.0 [ppm]
Fire Fighting Procedures · 3 件

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.

Storage ConditionsStore in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Cleanup Methods · 2 件

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.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods · 2 件

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.

Spillage Disposal · 1 件

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.

毒性情報

Toxicological InformationRanking: 586 (total points: -1)
Body Burden · 2 件

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).

TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Interactions · 2 件

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.

Target OrgansEyes, skin, respiratory system, central nervous system
Health EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
Ecotoxicity Values · 4 件

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/

Environmental Fate · 3 件

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).

Food Survey Values · 1 件

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).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 3 件

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)

Milk Concentrationsn-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).

安全データ

OEB
A
OEL
TWA: 75 ppm (350 mg/m3), Ceiling: 385 ppm (1800 mg/m3) [15-minute]
wgk
1
IDLA
1,000 ppm [10% LEL]
tsca
TSCA listed
rtecs
RG8400000
ridadr
UN 1262
毒性
LDLo intravenous in mouse: 428mg/kg
hs_code
29011000
risk_code
11-38-50/53-65-67
化審法
(2)-8
安衛法
57,57-2
消防法
危険物第4類第一石油類(非水溶性)
hazard_code
F,Xn,N
safety_code
9-16-29-33-60-61-62
hazard_class
3
packing_group
II
自然発火温度
428 °F
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス
3 - Flammable liquids
有毒物質データの
111-65-9(Hazardous Substances Data)

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.

Cellular LocationsMembrane

用途と製造

Uses · 6 件

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)

U.S. Production · 6 件

2023: 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.

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Methods of Manufacturing · 2 件

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/

Formulations/PreparationsGrades: 95%, 99% research.
Household ProductsInformation on 5 consumer products that contain Octane in the following categories is provided:
General Manufacturing Information · 4 件

Petroleum Refineries

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

応用分野 · 8 件

解説炭素数8個からなる飽和炭化水素(アルカン)の総称。18種の構造異性体と4種の光学異性体があり、合計22種の異性体がすべて分離されている。IUPAC命名法では、オクタンのうち、直鎖状のCH3(CH2)6CH3のみをオクタンといい、他の異性体は2-メチルヘプタン(CH3)2CH(CH2)4CH3などのように構造を表す名前をつける。オクタンは石油中に存在する可燃性液体。混合物からの分離には側鎖がないオクタンが尿素と付加化合物をつくることを利用する。イソオクタンは命名法の一般則からいうと、2-メチルヘプタンであるが、燃料の分野では2,2,4-トリメチルペンタンをイソオクタンとよんでいる。2,2,4-トリメチルペンタンは石油中に存在し、ガソリン臭のする可燃性液体であり、ガソリンのオクタン価測定の際の標準物質とされる。オクタンの異性体は水にはほとんど溶けないが、ベンゼン、クロロホルム、エーテルなどには溶ける。有機溶剤として用いられる。

解説C8H18(114.23).CH3(CH2)6CH3.脂肪族飽和炭化水素(パラフィン族)の一つ.炭素数8のアルカンには18種類の構造異性体が存在し,光学異性体を含めると23種類になる.これらの異性体の総称として用いられる場合もあるが,このうち直鎖状のものをとくにオクタンといい,正オクタン,n-オクタンともよばれる.原油および石油系炭化水素の分解油中に存在する.製法は,実験室的には,ベンゼンまたはエーテル中で臭化ブチルにナトリウムを作用させるか,1-オクテンを水素化する.工業的には,ナフサより分留し,尿素を用いて精製する.構造は直鎖状アルカン.引火性の無色の液体.融点-56.80 ℃,沸点125.67 ℃.d2540.69849.n25D1.39505.爆発範囲0.95~6.0体積%.エーテル,ベンゼンに可溶,エタノールに微溶,水に不溶.用途はおもに溶剤であるが有機合成原料にもなる.[CAS 111-65-9]森北出版「化学辞典(第2版)

用途標準燃料、オクタン価測定

用途有機合成原料。溶剤。

用途ニトロセルロース,アセチルセルロース,天然および、合成樹脂,アルコール可溶染料の溶媒,防湿セロハンの接着,速乾ワニス,エナメル,つめみがきに使用.鉄, 硫酸根,二硫化炭素の定量用試薬, KAR1 FISCHER試薬.

使用n-Octane occurs in petroleum crackingproducts, gasoline, petroleum ether, andpetroleum naphtha. It is used as a solventand in organic synthesis.

一般的な説明Colorless liquid with an odor of gasoline. Less dense than water and insoluble in water. Hence floats on water. Produces irritating vapor.

使用用途オクタンは、主に標準燃料、有機合成、共沸蒸留の溶剤として利用されます。具体的には、ニトロセルロースやアセチルセルロース、合成樹脂、アルコール可溶染料の溶媒、防湿セロハンの接着、速乾ワニス、エナメル」などです。また鉄や、の定量用試薬にも利用されます。 n-オクタンから枝分かれしたは、ガソリンのアンチノック性を示すオクタン価を測定するための標準物質として利用されています。また、燃料では、高オクタン価ガソリンを製造するための混合剤として配合されています。

調製方法 · 2 件

Octane is produced from the fractional distillation and refining of petroleum.

純化方法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.]

上流・下流製品情報

上流原料

1-ブロモブタンナトリウム2-Methyl-2-noneneLithium, [chloro(dimethylphenylsilyl)methyl]-cis-2-オクテン2-メチルノナンn-トリトリアコンタンn-テトラトリアコンタン1,7-オクタジイン2-オクタノン

下流製品

モキシフロキサシンTEGO103G二炭酸ジ-tert-ブチルケトロラクN,N-ビス[2-(オクチルアミノ)エチル]グリシン/塩酸,(1:x)2-[[(4-メトキシ-6-メチル-1,3,5-トリアジン-2-イル)カルバモイル]スルファモイル]安息香酸メチル1-ヨードブタン2,2,3-トリメチルペンタン

補足説明

定義ChEBI: A straight chain alkane composed of 8 carbon atoms.