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옥타코세인

Octacosane

HCID 12408
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
630-02-4
표준 SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey
ZYURHZPYMFLWSH-UHFFFAOYSA-N
분자식
C28H58
평균 분자량
394.8 g/mol
단동위원소 질량
394.45385185

개요

Waxy hydrocarbon, insoluble in water.

이름 및 식별자

우선 이름
Octacosane
IUPAC
octacosane
현지명
옥타코세인
영어명
n-Octacosane
분자식
C28H58
분자량
394.76

이름 및 동의어

OCTACOSANEn-Octacosane630-02-4DTXSID6058639VFF49836P8NSC-5549CHEBI:32943RefChem:43509DTXCID4032326211-125-7Octacosane, n-MFCD00009355
이름 더 보기
옥타코세인n옥타코사네ALKANE C28Octocosanen-Octcosanen-octocosaneOctacosanateOctacosane>Octacosane 99%n-Octacosane 0
NSC 5549CH3-[CH2]26-CH3NSC 5549; n-OctacosaneOctacosane, analytical standardC28H58CCRIS 680UNII-VFF49836P8EINECS 211-125-7

데이터베이스 식별자

CAS
630-02-4
PubChem CID
12408
DTXSID
DTXSID6058639
ChEBI
CHEBI:32943
UNII
VFF49836P8
EC Number
211-125-7
Nikkaji
J528B

물성

구조 계산 물성

XLogP
14.8
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
25
무거운 원자 수
28
형식 전하
0
복잡도
218

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Aliphatics, Saturated (>C11)

n-Alkane

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Density · 2건

0.8067 at 68 °F (NTP, 1992) - Less dense than water; will float

0.8067 g/cu cm at 20 °C

Color/FormMonoclinic or orthorhombic crystals from benzene, alcohol
Solubility · 2건

Insoluble in water

Miscible with acetone, soluble in benzene, chloroform

Boiling Point · 3건

808.9 °F at 760 mmHg (NTP, 1992)

432 °C

440 °C @760 [mm Hg]

Melting Point · 2건

148.1 °F (NTP, 1992)

61.3 °C

Vapor Density1.6X10-9 mm Hg at 25 (extrapolated)
Physical Description · 2건

Waxy hydrocarbon, insoluble in water.

Waxy solid; [CAMEO] White powder; [MSDSonline]

Stability/Shelf Life

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.

Not Classified

Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationOctacosane: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Solid
Fire HazardsFlash point data for this compound is not available, but it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Hazards SummaryMay cause irritation; [MSDSonline]
Reactive GroupHydrocarbons, Aliphatic Saturated
Reactivity Profile · 1건

Saturated aliphatic hydrocarbons, such as N-OCTACOSANE, 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 Products

화학 및 산업

약리 정보

Absorption, Distribution and Excretion · 2건

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/

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.

용도 및 제조

Uses · 2건

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/

Methods of Manufacturing · 2건

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/

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Stable under recommended storage conditions.
Other Experimental Properties1 Pa at 136.5 °C; 10 Pa at 169.8 °C; 100 Pa 210.9 °C; 1 kPa at 263.1 °C; 10 kPa at 332.0 °C; 100 kPa at 430.6 °C

물리화학적 성질

녹는점
57 · 57-62 °C(lit.)
끓는 점
278 °C15 · 278 °C15 mm Hg(lit.)
밀도
0.8067 · 0.8067
증기 밀도
13.6 · 13.6 (vs air)
증기압
1 mm · <1 mm Hg ( 20 °C)
굴절률
1.433 · 1.4330
인화점
227 °C · 227 °C
저장 조건
room temp
물리적 상태
반짝이는 플레이크 또는 파우더
색상
하얀색
수용성
클로로포름, 아세톤, 벤젠, 톨루엔에 용해됩니다. 물에 불용성.
BRN
1770570 · 1770570
Henry's Law Constant
5.6 · 5.6×10-9 mol/(m3Pa) at 25℃, Hilal et al. (2008)
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
주요 응용
석유
InChI
1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey
ZYURHZPYMFLWSH-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC
LogP
14.973 · 14.973 (est)
NIST
Octacosane(630-02-4)
EPA
Octacosane (630-02-4)

화학적 성질

white powder or waxy solid

Carbon oxides
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

안전 및 보호

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 · 1건

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 · 2건

Wear self contained breathing apparatus for fire fighting if necessary.

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

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

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 · 1건

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 2건

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 · 5건

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

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.

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.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.

SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits 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.

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
Protective Action Criteria (PAC) · 3건

500 [mg/m3]

5500 [mg/m3]

33000 [mg/m3]

Personal Protective Equipment (PPE) · 5건

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. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.

Respiratory protection: 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).

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 7.1X10+7(SRC), determined from a structure estimation method(2), indicates that octacosane is expected to be immobile in soil(SRC). Volatilization of octacosane from moist soil surfaces is expected(SRC) given an estimated Henry's Law constant of 870 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Octacosane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 1.60X10-9 mm Hg at 25 °C(3). Biodegradation oxygen consumption values of 8.2 and 7.8 ug/mL for analogous tetracosane (C24) and dotriacontane (C32), respectively, using a soil suspension(4) indicate that biodegradation of octacosane may be a slow environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 7.1X10+7(SRC), determined from a structure estimation method(2), indicates that octacosane 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 870 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.8 hours and 7.9 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is more than 2 years if adsorption is considered(4). According to a classification scheme(5), an estimated BCF of 4.5(SRC), from an estimated log Kow of 14.09(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation oxygen consumption values of 8.2 and 7.8 ug/mL for analogous tetracosane (C24) and dotriacontane (C32), respectively, using a soil suspension(6) indicate that biodegradation of octacosane 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), octacosane, which has an extrapolated vapor pressure of 1.60X-9 mm Hg at 25 °C(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase octacosane will be removed from the atmosphere by wet and dry deposition (SRC). Octacosane does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Toxicity Summary · 1건

IDENTIFICATION AND USE: Octacosane is a higher n-alkane containing 28 carbon atoms (C28). 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 liver, heart, kidneys, muscle and adipose bovine tissues.

Plant Concentrations · 2건

Octacosane detections in plants used in food and medicinal applications(1). /Octacosane/[Table#8381]

n-Octacosane detections in plants used in food and medicinal applications(1).[Table#8382]

Effluent ConcentrationsAlkanes (C20-C32) were the most abundant trace organic compounds found in particulate matter from vehicle exhaust with emission factors for octacosane from diesel driven light-duty vehicles of <0.3-18.5 ug/km(1).
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc of octacosane can be estimated to be 7.1X10+7(SRC). According to a classification scheme(2), this estimated Koc value suggests that octacosane is expected to be immobile in soil.

Natural Pollution SourcesOctacosane has been detected in various parts of a least 13 varieties of plants(1).
Atmospheric Concentrations · 3건

URBAN/SUBURBAN: Octacosane was detected in particulate air samples from Georgia Tech campus, GA at mean concentrations of 0.50 and 1.21 ng/cu m for summer 2005 and winter 2006, respectively(1). A mean octacosane concentration of approximately 16 ng/cu m was reported in the particulate phase of air samples collected in an urban and industrialized area in Prato, Italy during 2002(2). Octacosane concentration was 10.3 and 7.5 ng/cu m in particulate phase in the summer and winter, respectively; the concentration was 1.6 and 0.8 ng/cu m in the vapor phase in summer and winter, respectively; samples were collected in an urban area in Nagoya, Japan in 1991(3).

RURAL/REMOTE: Octacosane was detected in particulate air samples from a rural area of Yorkville, GA at mean concentrations of 0.16 and 0.88 ng/cu m for summer and winter, respectively(1).

SOURCE DOMINATED: Octacosane was detected in the gas and particle phase of tailpipe emissions from non-catalyst equipped gasoline powered motor vehicles at concentrations of 3.0 and 119 ug/km, respectively(1). Octacosane was detected at 83-420 pg/cu m with a mean of 190 pg/cu m in particulate air samples collected near a highway in Raleigh, NC; concentrations in samples collected 275 meters from the highway contained 53-530 pg/cu m with a mean of 170 pg/cu m(2). Octacosane was detected in particulate air samples from an interstate highway in Georgia at a mean concentration of 0.61 and 1.69 ng/cu m for summer and winter, respectively(3).

Fish/Seafood Concentrations · 1건

Catfish samples collected from seven locations in the Arabian Gulf had concentrations of C28 alkanes (possibly octacosane) ranging from not detected to 3.3 ng/g wet weight(1). Mean (range) octacosane concentrations of 235.4 (151-441), 437.4 (not detected - 993) and 72.0 (not detected - 218) ng/g dry weight were reported in marine winkle (Osilinus attratus) samples collected from three sampling stations off the Coast of Tenerife (Canary Islands) during 1990-1991(2). Mean octacosane concentrations of 189.1, 63.62 and 150.0 ng/g dry weight were reported in intertidal limpet (Patella ulyssiponensis) from 3 sampling stations in the Canary Islands during 1991-1993(3). Mean octacosane concentrations of 967.3, 182.2, and 969.1 ng/g dry weight were reported in intertidal limpet (Patella crenata) collected during May 1991-December 1993 at 3 sampling stations in the Canary Islands(4).

Artificial Pollution SourcesAlkanes such as octaconsane 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 · 2건

AEROBIC: Oxygen consumption of 8.2 and 7.8 ug/mL over 10 days was reported for straight chain alkanes tetracosane (C24) and dotriacontane (C32), respectively, using a soil suspension of Hudson-Collamer silt loam soil incubated in the dark at 25 °C(1). By analogy, these test results suggest that biodegradation rates are slow for long chain alkanes such as octacosane (C28) under these conditions(SRC).

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; octacosane, present as a component of the petroleum oil, was degraded by 4 of 5 bacterial strains with certain nitrogen sources, consumption ranged from 6 to 96%(1).

Sediment/Soil ConcentrationsSEDIMENT: Octacosane concentrations were 10-297 ng/g dry weight in sediments samples collected from 14 sites from the Shinano River in Niigata, Japan from November 2005 to April 2006(1).
Environmental Bioconcentration · 1건

An estimated BCF of 4.5 was calculated in fish for octacosane(SRC), using an estimated log Kow of 14.09 and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29011090
safety_code
24/25
기존화학 물질
KE-26276
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
630-02-4(Hazardous Substances Data)

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 · 4건

Octacosane: 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/

The toxicity of the plant Moschosma polystachyum was evaluated against mosquito Culex quinquefasciatus. The crude leaf extract and active compound octacosane showed negligible mortality against early third instar larvae of Culex quinquefasciatus. The 24 hr LC(50) value was observed at 153.2 +/- 1.3 mg/L and 7.2 +/- 1.7 mg/L for crude leaf extract and active compound octacosane, respectively. The repellent activity of active compound octacosane at 1.0 and 2.5 mg/sq cm concentration gave 85.2 +/- 1.7 min and 54.6 +/- 2.3 min protection, respectively. The total percentage protection of octacosane was 96.2 +/- 0.9 at 2.5 mg/sq cm and 86.4 +/- 1.3 at 1.0 mg/sq cm concentration.

An obligately thermophilic /Geobacillus sp./ strain ZY-10 was isolated from the crude oil in a high-temperature oilfield, which was capable of degrading heavy crude oil. Phenotypic and phylogenetic analysis demonstrated that the isolate should be grouped in the genus Geobacillus, which shared the highest similarity (99%) of the 16S rDNA sequence to Geobacillus stearothermophilus. However, the major cellular fatty acid iso-15:0 (28.55%), iso-16:0 (24.93%), iso-17:0 (23.53%) and the characteristics including indole production, tolerance to NaN3 and carbohydrate fermentation showed some difference from the recognized species in the genus Geobacillus. The isolate could use tridecane, hexadecane, octacosane and hexatridecane as sole carbon source for cell growth, and the digesting rate of long-chain alkane was lower than that of short-chain alkane. When the isolate was cultured in the heavy crude oil supplement with inorganic salts and trace yeast extract, the concentration of short-chain alkane was significantly increased and the content of long-chain alkane was decreased, suggesting that the larger hydrocarbon components in crude oil were degraded into shorter-chain alkane. Strain ZY-10 would be useful for improving the mobility of crude oil and upgrading heavy crude oil in situ.

응용 분야

일반 설명Waxy hydrocarbon, insoluble in water.

추가 설명

정의ChEBI: A straight-chain alkane containing 28 carbon atoms.