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n-テトラコサン

Tetracosane

HCID 12592
ノート反応
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
646-31-1
標準SMILES
CCCCCCCCCCCCCCCCCCCCCCCC
InChIKey
POOSGDOYLQNASK-UHFFFAOYSA-N
分子式
C24H50
平均分子量
338.7 g/mol
単同位体質量
338.3912516

概要

N-tetracosane is a crystalline waxy solid. Insoluble in water. Used in organic synthesis.

名称と識別子

優先名称
Tetracosane
IUPAC
tetracosane
現地名
n-テトラコサン
英語名
N-Tetracosane
分子式
C24H50
分子量
338.65

名称と別名

TETRACOSANEn-Tetracosane646-31-1YQ5H1M1D7ICHEBI:32936NSC-2984DTXSID8060955RefChem:49853DTXCID7044346211-474-5Tricosane, methyl-Lignocerane
名称をさらに表示
n-テトラコサンテトラコサン [標準物質]テトラコサンテトラコサン [GC用標準物質]N‐テトラコサンN-テトラコサン, IN ISOOCTANE (1000ΜG/ML)N-テトラコサン STANDARDN-テトラコサン, Δ13C: -26.42, IN CYCLOHEXANE (150ΜG/ML)n-テトラコサン Standard, 500 µg/mL in Chloroformn-テトラコサン, 99%N-TetracontanNSC 2984ALKANE C24etracosaneTetracosane,99%Tetracosane 99%TETRACOSANE(SG)TETRACOSANE(RG)
MFCD00009352UNII-YQ5H1M1D7ITetracosane, 99%C24H50AI3-52698Tetracosane, analytical standardCH3-[CH2]22-CH3HY-N7933

データベース識別子

CAS
646-31-1
PubChem CID
12592

物性

構造計算による物性

XLogP
12.6
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
21
重原子数
24
形式電荷
0
複雑度
174

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Aliphatics, Saturated (>C11)

n-Alkane

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Density · 3 件

0.7991 at 68 °F (NTP, 1992) - Less dense than water; will float

0.7991 g/cu cm at 20 °C

Density: 0.779 g/cu cm (51/4C)

Color/Form · 3 件

Crystals

Crystals from ether

White powder

Solubility · 3 件

Insoluble in water

Slightly soluble in ethanol; very soluble in ethyl ether

Soluble in alcohol

Flash Point> 113.00 °C (> 235.40 °F) - closed cup
Boiling Point · 3 件

736.3 °F at 760 mmHg (NTP, 1992)

391 °C

390.00 to 392.00 °C. @ 760.00 mm Hg

Melting Point · 3 件

126 °F (NTP, 1992)

50.3 °C

54 °C

Vapor Pressure4.07X10-6 mm Hg at 25 °C (extrapolated)

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 · 3 件

This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.

Not Classified

Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: Tetracosane

Tetracosane: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Tetracosane: Human health tier I assessment
Fire HazardsFlash point data for this compound is not available,but it is probably combustible. (NTP, 1992)
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Reactive GroupHydrocarbons, Aliphatic Saturated
Reactivity Profile · 1 件

Saturated aliphatic hydrocarbons, such as N-TETRACOSANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are 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, they burn exothermically to produce carbon dioxide and water.

Air and Water ReactionsInsoluble in water.
Toxic Combustion ProductsSpecial hazards arising from the substance or mixture: Carbon oxides

化学と産業

薬理情報

Absorption, Distribution and Excretion · 2 件

Arthrobacter nicotianae KCC B35 isolated from blue-green mats densely covering oil sediments along the Arabian Gulf coast grew well on C10 to C40 n-alkanes as sole sources of carbon and energy. Growth on C20 to C40 alkanes was even better than on C10 to C18 alkanes. Biomass samples incubated for 6 hr with n-octacosane (C28) or n-nonacosane (C29) accumulated these compounds as the predominant constituent alkanes of the cell hydrocarbon fractions. The even chain hexadecane C16 and the odd chain pentadecane C15 were the second dominant constituent alkanes in C28 and C29 incubated cells, respectively. n-Hexadecane-incubated cells accumulated in their lipids higher proportions of C16-fatty acids than control cells not incubated with hydrocarbons. On the other hand, C28 and C29-incubated cells did not contain any fatty acids with the equivalent chain lengths, but the fatty acid patterns of the cell lipids suggest that there should have been mid-chain oxidation of these very long chain alkanes. This activity qualifies A. nicotianae KCC B35 to be used in cocktails for bioremediating environments polluted with heavy oil sediments.

Liver, heart, kidneys, muscle and adipose (perirenal and s.c.) /bovine/ tissues were collected from 6 animals for analysis of their hydrocarbon composition. Qualitative and quantitative determinations were carried out by gas chromatography and combined gas chromatography-mass spectrometry. Although differing in the proportions, a homologous series of n-alkanes ranging from n-C12-n-C31 was found in all samples. The isoprenoid hydrocarbons phytane and phytene (phyt-1-ene and phyt-2-ene) were also identified. (These findings have relevance to the health of humans consuming hydrocarbon-contaminated meats.) /n-Alkanes/

Cellular LocationsMembrane

用途と製造

Uses · 4 件

Used in organic synthesis; [CAMEO]

Organic synthesis

They are used mainly in applications for which isoalkanes are not acceptable for biological reasons, e.g., the production of detergents or proteins./Higher n-Alkanes/

Solid n-alkanes (paraffin waxes) are used in a variety of applications, e.g., ... oxidation, and chlorination reactions. /Higher n-Alkanes/

関連反応

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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
DTXSID
DTXSID8060955
ChEMBL
CHEMBL4172502
ChEBI
CHEBI:32936
UNII
YQ5H1M1D7I
EC Number
211-474-5
Nikkaji
J1.721C
Physical Description · 3 件

N-tetracosane is a crystalline waxy solid. Insoluble in water. Used in organic synthesis.

Waxy solid; [CAMEO] White crystalline solid; [Alfa Aesar MSDS]

Solid

Stability/Shelf LifeStable under recommended storage conditions.
Other Experimental PropertiesRefractive index = 1.4283 at 70 °C/D

物理化学的性質

融点
49 · 49-52 °C(lit.)
沸点
391 °C · 391 °C(lit.)
比重(密度)
0.7991 · 0.7991
屈折率
1.4281 · 1.4281 (589.3 nm 70℃)
闪点
230 °F · >230 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
10 % · クロロホルム:可溶10% 無色透明
外見
シャイニーフレーク
色
白い
水溶解度
水に不溶。
BRN
1758462 · 1758462
Henry's Law Constant
3.1 · 3.1×10-8 mol/(m3Pa) at 25℃, Hilal et al. (2008)
主な用途
石油
InChI
1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
POOSGDOYLQNASK-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC
LogP
13.508 · 13.508 (est)
CAS データベース
646 · 646-31-1(CAS DataBase Reference)
EPAの化学物質情報
Tetracosane (646-31-1)

化学的性質

化学的特性WHITE SHINY FLAKES

Hazard Classes and CategoriesNot Classified
Skin, Eye, and Respiratory Irritations/Higher alkanes/ may cause eye and skin irritation.
Hazardous Reactivities and IncompatibilitiesIncompatible materials: Strong oxidizing agents.

安全と保護具

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Fire Fighting Procedures · 2 件

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place.
Cleanup Methods · 1 件

ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, dampen the solid spill material with 5% ammonium hydroxide, then transfer the dampened material to a suitable container. Use absorbent paper dampened with 5% ammonium hydroxide to pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with 5% ammonium hydroxide followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 2 件

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging: Dispose of as unused product.

Preventive Measures · 5 件

ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: Do not let product enter drains.

Precautions for safe handling: Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire protection.

Appropriate engineering controls: General industrial hygiene practice.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

For more Preventive Measures (Complete) data for n-Tetracosane (6 total), please visit the HSDB record page.

Personal Protective Equipment (PPE) · 5 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

Eye/face protection: Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection: Handle with gloves.

Body Protection: Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place.

Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 6.5X10+6(SRC), determined from a structure estimation method(2), indicates that tetracosane is expected to be immobile in soil(SRC). Volatilization of tetracosane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 280 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Tetracosane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.07X10-6 mm Hg at 25 °C(4). Biodegradation oxygen consumption of 8.2 ug/mL using a soil suspension(4) indicates that biodegradation of tetracosane may be a slow environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 6.5X10+6(SRC), determined from a structure estimation method(2), indicates that tetracosane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 280 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.9 hours and 7.3 days, respectively(SRC). However, adsorption to sediment and suspended solids is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 40(SRC), from an estimated log Kow of 11.64(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Biodegradation oxygen consumption of 8.2 ug/mL using a soil suspension(4) indicates that biodegradation of tetracosane may be a slow environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tetracosane, which has a vapor pressure of 4.07X10-6 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase tetracosane 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 12 hours(SRC), calculated from its rate constant of 30.9X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase tetracosane may be removed from the air by wet and dry deposition(SRC). Tetracosane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Toxicity Summary · 1 件

IDENTIFICATION AND USE: Tetracosane is a solid n-alkane containing 24 carbon atoms (C24). Solid n-alkanes (paraffin waxes) are used in a variety of applications: as feeds for cracking them to gasoline blendstock materials, oxidation, and chlorination reactions. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: A homologous series of n-alkanes ranging from n-C12-n-C31 was found in all samples of bovine tissues.

Plant Concentrations · 2 件

Tetracosane detections in plants used in food and medicinal applications(1). /Tetracosane/[Table#8373]

n-Tetracosane detections in plants used in food and medicinal applications(1).[Table#8374]

Effluent Concentrations · 1 件

Tetracosane was identified in the extract of some plastic materials from Concon, Chile(1); it was detected in the surface extract of new plastic bags, roadside litter, and landfill trash at concentrations of 93.5, 117.1, and 154.5 ug/g, respectively; it was detected in the particulate matter of open burn smoke from new plastic bags, roadside litter, and landfill trash, at concentrat646ions of 21.5, 20.8, and 12.6 ng/mg, respectively; eicosane was detected in the surface extract and the open burn smoke of new plastic bags from the United States at a concentration of 56.3 ug/g and 55.2 ng/mg, respectively(1). Average concentrations of tetracosane emitted as a result of Chinese cooking styles were reported as 135, 102, 54, and 66 ng/mg, for Cantonese style, Sichuan style, Dongbei style, and Hunan style cooking, respectively(2).

Soil Adsorption/Mobility · 1 件

The Koc of tetracosane is estimated as 6.5X10+6(SRC), using an estimated log Kow of 12.13(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that tetracosane is expected to be immobile in soil.

Natural Pollution SourcesTetracosane is detected in various plants used in food and medicinal applications(1). Tetracosane is found in the mineral evenkite found in the French Alps(2).
Atmospheric Concentrations · 2 件

URBAN/SUBURBAN: In 2002, tetracosane was detected in the gas-phase and the particulate-phase of urban and industrial air samples from Prato, Italy, at average concentrations of approximately 12 and 8.5 ng/cu m, respectively(1). Tetracosane was detected in the particulate matter of ambient urban air sampled daily from January 2003 through December 2004 in Augsburg, Germany; average concentrations reported for spring, summer, fall and winter were 6.33, 3.19, 8.74, and 13.8 ng/cu m, respectively(2). During late fall and winter seasons tetracosane was monitored in the particulate matter of ambient atmospheres in urban areas of Corvallis OR, Guangzhou China, Beijing China, and Taiyuan China, with reported concentrations of 1.0, 57.3, 148.4, and 63.4 ng/cu m, respectively(3).

SOURCE DOMINATED: Tetracosane was detected in the particle phase of tailpipe emissions from catalyst equipped gasoline powered motor vehicles at a concentration of 0.9 ug/km; and in the gas and particle phase of tailpipe emissions from non-catalyst equipped gasoline powered motor vehicles at concentrations of 8.9 and 503 ug/km, respectively; it was also detected in the gasoline at 1.7 ug/g(1). Concentrations of various compounds including alkanes were reported near a highway in Raleigh, NC with an annual average daily traffic count of approximately 125,000 vehicles. High volume PM2.5 air samples were collected at two locations, one approximately 10 meters (near) and the other 275 meters perpendicular (far) from the road(2). Mean (range) tetracosane concentrations were 340 (74-870) and 220 (100-550) pg/cu m at the near and far sites, respectively(2). Tetracosane was detected in the particulate phase of emissions from light-duty vehicles using diesel fuel at concentrations ranging from 9.69 to 27.62 ug/mg for vehicle with an emission control device and 201.2 ug/mg for the vehicle without an emission control device(3). Field sampling, conducted during June-July 2005 and January 2006, of particulate matter collected roadside of an interstate highway in Atlanta GA, 400 meters away from the freeway at the Georgia Tech campus, and at a rural site in Yorkville GA, had tetracosane concentrations of approximately 7.8, 5.3, and 3.2 ng/cu m, respectively(4).

Fish/Seafood Concentrations · 1 件

Barnacle samples collected from five locations in the Arabian Gulf had concentrations of tetracosane ranging from not detected to 860 ng/g(1). Catfish samples collected from seven locations in the Arabian Gulf had concentrations of tetracosane ranging from <0.1 to 113 ng/g(2).

Artificial Pollution SourcesAlkanes such as tetracosane may be components in petroleum products(1) and may be released to the environment through the processing and combustion of petroleum products(SRC).
Environmental Biodegradation · 2 件

AEROBIC: Biodegradation of tetracosane was measured by the biological oxygen demand using a suspension of Hudson-Collamer silt loam soil in water. Oxidation of tetracosane by microorganisms was achieved, resulting in 8.2 ug/mL oxygen consumed after 20 days(2).

PURE CULTURE: Using 5 different marine bacterial strains and 4 different nitrogen sources, biodegradation of petroleum oil was examined under aerobic conditions at 26 °C for 10 days; tetracosane, present as a component of the petroleum oil, was not degraded by 1 of the 5 strains but was degraded by 4 of 5 bacterial strains with certain nitrogen sources, consumption ranged from 11 to 93%(1).

Sediment/Soil Concentrations · 2 件

SEDIMENTS: Tetracosane was detected in sediment samples from from 14 sites along the Shinano River in Japan, from Nov 2005 to April 2006, at concentrations ranging from 3.0 to 38 ng/g(1).

SOIL: During winter 2002 soil and sand samples, from six locations in the Riyadh metropolitan area of Saudi Arabia, were examined for extractable organic matter; tetracosane was detected at relative concentrations between 0.24 to 0.81% (of total extractable organic matter) at five of six locations(1).

Environmental BioconcentrationAn estimated BCF of 40 was calculated in fish for tetracosane(SRC), using an estimated log Kow of 12.13(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

安全データ

wgk
3
tsca
TSCA listed
hs_code
2901 10 00
化審法
(2)-10
safety_code
24/25
ストレージクラス
11 - Combustible Solids
有毒物質データの
646-31-1(Hazardous Substances Data)
Methods of Manufacturing · 2 件

The liquefaction of coal provides the greatest variety of saturated hydrocarbons. The Fischer-Tropsch synthesis produces alkanes from syngas (CO + H2) in the range C1 to C30 or higher depending on the process variant: depending on the catalyst employed, the synthesis yields predominantly liquid hydrocarbons in the gasoline range, along with gases from C1 to C4 when iron-based catalysts are used, while cobalt-based catalysts produce longer chain hydrocarbons in the diesel and wax range that often undergo, depending of the desired product slate, further processing, especially for gasoline generation. While iron-based Fischer-Tropsch catalysts generate complex mixtures that also include branched and olefinic hydrocarbons, cobalt-based catalysts produce streams that are rich in n-alkanes and are therefore suitable raw materials for detergents and for wax products. /Saturated Hydrocarbons/

Suitable sources for n-alkanes with more than six carbon atoms are the appropriate petroleum distillate fractions, from which the n-paraffins can be isolated in high isomeric purity (= 95% linearity) by selective separation techniques, especially fractional distillation. /Higher n-Alkanes/

General Manufacturing Information · 2 件

Tetracosane: ACTIVE

Gas-phase dehydrogenation of n-alkanes over noble-metal catalysts yield the corresponding n-alkenes at low conversion rates (ca. 10%) with predominantly internal double bonds. The corresponding alkenes can be isolated in high purity by selective molecular-sieve processes. /Higher n-Alkanes/

応用分野

使用n-Tetracosane is a suitable solvent used in the synthesis of ZnS nanoparticle. It is also employed as the wax component to study the reduction in pour point of hydrocarbon solvents containing wax crystals on addition of polymer additives.

一般的な説明Crystalline waxy solid. Insoluble in water. Used in organic synthesis.

調製方法

純化方法Crystallise it from diethyl ether and/or distil it under high vacuum. [Beilstein 1 IV 578.]

補足説明

定義ChEBI: A straight-chain alkane containing 24 carbon atoms.