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2-オクタノン

2-Octanone

HCID 8093
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印刷プレビュー
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
111-13-7
標準SMILES
CCCCCCC(C)=O
InChIKey
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
分子式
C8H16O
平均分子量
128.21 g/mol
単同位体質量
128.12011513

概要

2-octanone is a methyl ketone that is octane substituted by an oxo group at position 2. It has a role as a metabolite.

名称と識別子

優先名称
2-Octanone
IUPAC
octan-2-one
現地名
2-オクタノン
英語名
2-Octanone
分子式
C8H16O
分子量
128.21

名称と別名

2-OCTANONEOctan-2-one111-13-7Hexyl methyl ketoneMethyl hexyl ketonen-Hexyl methyl ketoneMethyl n-hexyl ketone2-OxooctaneFEMA Number 2802FEMA No. 2802J2G84H29AFDTXSID4021927
名称をさらに表示
2-オクタノンヘキシルメチルケトンメチルエナントンオクタン-2-オンメチルヘキシルケトンヘキシル(メチル)ケトンメチル nヘキシルケトン2‐オクタノンオクタノン, 2-2-OctanonFEMA 2802MHKoctan-2-Zhongxine
NSC-3712CHEBI:87434RefChem:88855DTXCID301927203-837-12-Octanone (natural)MethvlhexanoneMFCD00009540

データベース識別子

CAS
111-13-7
PubChem CID
8093
DTXSID
DTXSID4021927
ChEMBL
CHEMBL18549
ChEBI
CHEBI:87434
UNII
J2G84H29AF
EC Number
203-837-1
Nikkaji
J1.984D

物性

構造計算による物性

XLogP
2.4
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
5
重原子数
9
形式電荷
0
複雑度
76.6

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Octanone) -> IFRA transparency List
LogP · 3 件

log Kow = 2.37

2.37

2.76

Odor · 3 件

FATTY, GREEN CHEESE AROMA

FLORAL, BITTER, FRUITY (UNRIPE APPLE)

Pleasant

Taste · 3 件

Camphor taste

CHEESE

BITTER

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 3 件

0.820 at 20 °C/4 °C

0.813-0.819

0.820 @ 20°C

Flavoring AgentsEU Flavoring substances
Color/FormColorless liquid

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

This chemical does not meet GHS hazard criteria for 0.8% (15 of 1970) of reports.

Warning

H226 (99%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1970 reports by companies from 15 notifications to the ECHA C&L Inventory.

Warning

危険有害性情報

Regulatory Information · 5 件

Chemical: 2-Octanone

Regulation (EC) No 1831/2003 (amended)

2-Octanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Octanone 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: Octan-2-one (EC: 203-837-1)

2-Octanone: Does not have an individual approval but may be used under an appropriate group standard

Fire PotentialFlammable liquid when exposed to heat, flame, or oxidizers.
Hazards SummaryMay cause mild irritation; Inhalation of high concentrations can cause CNS depression; [HSDB] Safe when used as a flavoring agent in food; [JECFA] An irritant; Harmful by skin absorption; [Alfa Aesar MSDS]
FDA Requirements · 1 件

2-Octanone is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Uses · 5 件

Used in perfumes, flavorings, and odorants; Also used as a high-boiling solvent (especially for epoxy resin coatings); Also used in leather finishes and nitrocellulose lacquers; [Hawley] Used as a flavoring agent; [FDA]

Painting (Solvents) [Category: Paint]

In perfumes; high-boiling solvent, especially for epoxy resin coatings; in leather finishes; flavoring; odorant; anti-blushing agent for nitrocellulose lacquers.

2-Octanone is used as an intermediate and in fragrance compositions.

...USEFUL IN CHEESE FLAVORS.

U.S. Production · 6 件

2023: 50,000 - <75,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1986) 10 thousand-500 thousand pounds

(1990) >500 thousand-1 million pounds

For more U.S. Production (Complete) data for 2-OCTANONE (7 total), please visit the HSDB record page.

Consumer UsesFragrance
Methods of Manufacturing · 3 件

By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330-340 °C.

By distilling sodium ricinoleate with caustic soda.

2-Octanone is produced industrially by two methods: Reductive condensation of acetone with pentanal ... /and by/ oxidation of 1-octene with hydrogen peroxide in the presence of a catalyst containing rhenium oxide or a special palladium-copper catalyst in the presence of nitriles.

Formulations/PreparationsASSAY: 98% MINIMUM
Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

関連反応

77 件
反応記録を作成
HRID 21361 の反応式
HRID 21361反応物としてuspto-grants-1995_06
HRID 21431 の反応式
HRID 21431反応物としてuspto-grants-1995_06
HRID 66087 の反応式
HRID 66087反応物としてuspto-grants-1978_12
HRID 88916 の反応式
HRID 88916生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 139306 の反応式
HRID 139306生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 151968 の反応式
HRID 151968生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 163841 の反応式
HRID 163841反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 175536 の反応式
HRID 175536反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
1 / 10 ページ

化合物ノート

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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
Solubility · 6 件

Miscible with alcohol, ether

1:9-12 IN 50% ALCOHOL, 1:1-1.7 IN 70% ALCOHOL

Soluble in alcohol, hydrocarbons, ether, esters, etc.

In water, 899 mg/L at 20 °C

0.899 mg/mL at 20 °C

1 ml in 1 ml 95% alcohol (in ethanol)

物理化学的性質

融点
-16 °C · -16 °C
沸点
173 °C · 173 °C(lit.)
比重(密度)
0.819 g/mL · 0.819 g/mL at 25 °C(lit.)
蒸気圧
1.8 · 1.8-2.614hPa at 20-25℃
FEMA
2802 · 2802 | 2-OCTANONE
屈折率
20 · n20/D 1.416(lit.)
闪点
133 °F · 133 °F
貯蔵温度
2 · Sealed in dry,2-8°C
溶解性
0.9 g/l · 0.9g/l
外見
液体
色
無色透明~ごくわずかに黄色
臭い (Odor)
10 %。土の雑草の自然なウッディの草 · ジプロピレングリコール中10.00%。土の雑草の自然なウッディの草
においのタイプ
土っぽい
由来生物
synthetic
水溶解度
0.9 g/L · 0.9g/L
比熱容量
2.13 J/ · Cp(liquid): 2.13 J/(g·K), at 25℃
JECFA Number
288 · 288
Merck
14 · 14,4711
BRN
635843 · 635843
Henry's Law Constant
5 · 5.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant
7.4 · 7.4(100℃)
安定性
安定。強力な酸化剤とは相容れない。可燃性。
化粧品成分の機能
香料
InChI
1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChIKey
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
SMILES
CCCCCCC(C)=O
LogP
1.95 · 1.95-2.37 at 25℃
CAS データベース
111 · 111-13-7(CAS DataBase Reference)
NISTの化学物質情報
2 · 2-Octanone(111-13-7)
EPAの化学物質情報
2 · 2-Octanone (111-13-7)

化学的性質

化学的特性2-Octanone has a floral and bitter, green, fruity (unripe apple) odor and bitter, camphoraceous taste. Insoluble in water; solublein alcohol, hydrocarbons, ether, esters, etc. Com-bustible.

NFPA Hazard Classification · 3 件

1 - Materials that, under emergency conditions, can cause significant irritation.

2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and Categories · 2 件

Flam. Liq. 3 (99%)

Flammable liquids - Category 3

Skin, Eye, and Respiratory Irritations · 1 件

2-Octanone has a relatively low toxicity. Direct skin contact may cause defatting and irritation of the skin. Inhalation may produce mild symptoms of eye, nose, and throat irritation at low concentrations, and may cause /CNS depression/ at high concentrations.

安全と保護具

Fire Fighting Procedures · 2 件

To fight fire, use foam, alcohol foam.

Alcohol foam.

Disposal Methods · 1 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Preventive Measures · 1 件

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Protective Action Criteria (PAC) · 3 件

9.3 [mg/m3]

100 [mg/m3]

610 [mg/m3]

毒性情報

Interactions · 2 件

The conduction velocity of motor and sensory fibers of the tail in rats were not affected following repeated subcutaneous injections of 2-octanone alone, but injections of 2-octanone together with MnBK (methyl n-butyl ketone) significantly enhanced the neurotoxic effect seen with MnBK alone.

The effect of aliphatic nontoxic ketones on the neurotoxicity of methyl-n-butyl-ketone was studied in rats. Male Donryu-rats were exposed to methyl-n-butyl-ketone alone or in combination with methylethyl-ketone, methyl-n-propyl-ketone, methyl-n-amyl-ketone, or methyl-n-hexyl-ketone. Each ketone was injected subcutaneously in equimolar doses of 4 millimoles per kilogram, once daily, five days a week for 20 weeks. The animals were weighed biweekly and observed for signs of neurotoxicity. Maximum motor fiber conduction velocity and distal latency were measured every two weeks in the tail nerves. All treated animals showed significant decreases in body weights, relative to controls. Animals treated with methyl-n-butyl-ketone plus methyl-n-propyl-ketone, methyl-n-amyl-ketone, and methyl-n-hexyl-ketone showed greater weight decreases than those treated with methyl-n-butyl-ketone alone. Treated animals showed weakness in the hind legs. Hind leg weakness was more severe in rats treated with the combined ketone doses than with methyl-n-butyl-ketone alone. All the ketones enhanced the neurotoxicity of methyl-n-butyl-ketone as measured by decreased motor conduction velocities and prolonged distal latencies of the tail nerve. Methyl-n-hexyl-ketone had the greatest potentiating effect on methyl-n-butyl-ketone. The authors note that methyl-n-hexyl-ketone had the longest carbon chain. They suggest that the lengths of the carbon chain of the aliphatic ketones is directly related to their abilities to potentiate methyl-n-butyl-ketone neurotoxicity.

Ecotoxicity ValuesLC50 Pimephales promelas (Fathead minnow) 36 mg/L 96 hr flow-through bioassay, weight 0.12 g, water hardness 45.5 mg/L CaCO3, temp: 25 + or - 1 °C, pH 7.5, dissolved oxygen >60% of saturation
Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 460(SRC), determined from a log Kow value of 2.37(2) and a regression-derived equation(3), indicates that 2-octanone is expected to have moderate mobility in soil(SRC). Aerobic biodegradation of this compound is expected. 2-Octanone, inoculated with acclimated sludge, had BOD values from 33%(4) to 48%(5,6) of the theoretical oxygen demand after 5 days incubation. Volatilization of 2-octanone from moist soil surfaces in expected to be an important fate process(SRC) given a Henry's Law constant of 1.88X10-4 atm-cu m/mole(7). 2-Octanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.35 mm Hg(8). Theoretical BOD values of 33%(8) and 48%(9) suggest that biodegradation may occur in soil(SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 460(SRC), determined from a log Kow value of 2.37(2) and a regression-derived equation(3), indicates that 2-octanone is expected to adsorb to suspended solids and sediment(SRC). In water, 2-octanone has a measured volatilization flux of 40 g/min/sq m; some attenuation of this process is expected due to the gas-film interface(4). A measured Henry's Law constant of 1.88X10-4 atm-cu m/mole(5) also indicates that this compound will volatilize from water surfaces. Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 6 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 13(SRC), from its log Kow(2), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. 2-Octanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Theoretical BOD values of 33%(8) and 48%(9,10) suggest that biodegradation may occur in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-octanone, which has a vapor pressure of 1.35 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-octanone 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 1.6 days(3). 2-Octanone does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).

Food Survey Values · 1 件

2-Octanone is present, at unreported concentrations, as a volatile component of aroma of cooked beef, mutton, chicken, and pork(1). 2-Octanone was identified in the volatile components of clam and corbicula(2), and raw beef(3). 2-Octanone was identified in Beaufort cheese(4), blue cheese(5), roasted filberts(6), and in peanut oil, heated to 200 °C, at unreported concentrations(7). 2-Octanone was isolated as a volatile component of duck meat (0.08 ppb), duck fat (0.91 ppb), Cantonese style roasted duck (trace) and Cantonese style roasted duck gravy (trace)(8). 2-Octanone was detected in whole and ground musty sorghum with direct helium-purge method, and detected in ground musty sorghum with supercritical fluid extraction(9).2-Octanone was reported in concentrations of 73.9 ug/kg to 86.7 ug/kg in fermented soybean (Glycine max) curd(10). The lipid fraction of raw beef contained unreported concentrations of 2-octanone(11). 2-Octanone was measured at 25.7 ng/g in hair tail viscera fish paste(12).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Effluent Concentrations · 1 件

2-Octanone was detected in the volatile emissions of a liquid floor wax and a liquid wax for marble, ceramic, and linoleum at unreported concentrations(1). Volatile fractions from fresh and used machine cutting-fluid emulsion contained 2-octanone at 0.114 and 0.540 ug/g, respectively(2). Process water from in situ coal gasification (at 29 ppb), aqueous condensate from low-Btu gasification of coal (at 188 ppb), and Omega-9 retort water from in situ oil shale processing (at 126 ppb) contained 2-octanone(3). 2-Octanone was detected but not quantified in the emissions of building materials with microbial growth(4).

Soil Adsorption/Mobility · 1 件

The Koc of 2-octanone is estimated as 460(SRC), using a measured log Kow of 2.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-octanone is expected to have moderate mobility in soil(SRC).

TSCA Test Submissions · 1 件

2-Octanol (CAS # 111-13-7) was evaluated for acute inhalation toxicity. An acute toxicity study was conducted with 5 male albino rats (strain not reported) receiving 2-octanol by aspiration. Animals were anesthetized and 0.2ml of the test substance was placed in the mouth. Animals were then placed in a vertical position with mouth open and nostrils closed at expiration to promote entry of the liquid into the trachea. Four of the five animals died instantly or within minutes after dosing. The remaining animal was sacrificed, 24 hours after dosing. Lungs were removed from all animals for examination. Animals dying within minutes of dosing were observed with bloody exudate from nostrils (2 animals) and macroscopic examination of the lung revealed petechial pulmonary hemorrhages (1 animal) and pin point pulmonary hemorrhages (1 animal). Lungs of the animal sacrificed 24 hours after dosing were normal by macroscopic examination. The average weight of lungs from the treated animals was 2.81g, and the average weight of the negative (water) controls was 1.38g. It was concluded by the authors that the death occurred due to respiratory paralysis or cardiac arrest or both, based upon the rapid cessation of respiratory or cardiac action, and lung weights and macroscopic appearance of the lungs.

Natural Pollution SourcesREPORTED FOUND IN SMALL QUANTITIES IN THE ESSENTIAL OIL OF RUTA MONTANA L AND IN A FEW VARIETIES OF BANANA AND CITRUS FRUITS.
Atmospheric ConcentrationsINDOOR: 2-Octanone was detected but not quantified in 5 of 44 emission samples from furniture(1).
Human Toxicity Excerpts · 2 件

/HUMAN EXPOSURE STUDIES/ Tested at 4% in petrolatum, it produced no irritation after a 48 hour closed-patch test on human subjects ... and no sensitization reactions ...

/SIGNS AND SYMPTOMS/ 2-Octanone has a relatively low toxicity. Direct skin contact may cause defatting and irritation of the skin. Inhalation may produce mild symptoms of eye, nose, and throat irritation at low concentrations, and may cause /CNS depression/ at high concentrations.

Artificial Pollution Sources · 1 件

2-Octanone's production and use as a fragrance and flavoring ingredient, as a high-boiling solvent, in leather finishes, as an odorant, and as an anti-blushing agent for nitrocellulose lacquers(1) may result in its release to the environment through various waste streams(SRC).

法規制情報

FDA Requirements · 1 件

2-Octanone is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

安全データ

wgk
1
tsca
TSCA listed
rtecs
RH1484000
ridadr
UN 1224 3/PG 3
毒性
Both the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 5 g/kg (Moreno, 1973).
hs_code
29141990
risk_code
21-10
化審法
(2)-542
消防法
危-4-2-III
hazard_code
Xn
safety_code
36/37-16
hazard_class
3
packing_group
III
Hazard Classifications
Acute Tox. 4 DermalFlam. Liq. 3
ストレージクラス
3 - Flammable liquids
有毒物質データの
111-13-7(Hazardous Substances Data)

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 4 件

2-Octanone: ACTIVE

Baked goods, 252.9 ppm; Cheese 333.5 ppm; Frozen dairy, 23.50 ppm; Condiment, relish, 1.0 ppm; Softcandy, 16.67 ppm; Gelatin, pudding 15.04 ppm; Snack foods, 2.00 ppm; Non-alcoholic beverages, 7.00 ppm; Alcoholic beverages, 0.10 ppm.

CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01, MAX 0.1; DETERGENT: USUAL 0.003, MAX 0.01; CREAMS, LOTIONS: USUAL 0.005, MAX 0.02; PERFUME: USUAL 0.04, MAX 0.4.

THE COUNCIL OF EUROPE (1974) INCLUDED METHYL HEXYL KETONE AT A LEVEL OF 2 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH.

応用分野 · 5 件

用途塗料、染料などの溶剤や香料、化学合成中間体

説明2-Octanone has a floral and bitter, green, fruity (unripe apple) odor with a bitter camphoraceous taste. May be synthesized by the oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 - 340°C.

天然物の起源Reported found in apple, apricot, banana, cranberry, grape, raisin, papaya, peach, raspberry, strawberry, leek, peas, clove, wheat bread, many cheeses, butter, milk, cooked egg, yogurt, caviar, fatty fish, meats, beer, hop oil beer, cognac, rum, grape wines, cocoa, coffee, tea, roasted filberts and peanuts, pecans, potato chips, oats, soybean, olive, beans, walnut, trassi, mushroom, fig, rice, buckwheat, quince, sweet corn, corn oil, malt, wort, krill, Bourbon vanilla, mountain papaya, shrimp, crab, crayfish, clam, truffle, maté and mastic gum oil.

使用2-Octanone is used in perfumes, high-boiling solvent, especially for epoxy resin coatings and in leather finishes. It is used in flavoring, odorant. It can act as antiblushing agent for nitrocellulose lacquers.

一般的な説明2-Octanone is a volatile flavor compound reported to be found in blue cheese, acerola fruit, blue crab and cray fish.

調製方法

2-Octanone can be produced by oxidation of methyl hexyl carbinol, 2-octanol, or 1-octene or by reductive condensation of acetone with pentanol. Commercial samples can have a purity of 98%.

製造方法By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 to 340°C.

上流・下流製品情報

上流原料

2-オクタノールヒマシ油

下流製品

5-メチルウンデカンcis-2-オクテン3-オクテン-2-オンn-オクタン2-オクチン(3E)-3-hydroxyiminooctan-2-one

補足説明

定義ChEBI: A methyl ketone that is octane substituted by an oxo group at position 2.