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Dotriacontane

HCID 11008
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
544-85-4
標準SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey
QHMGJGNTMQDRQA-UHFFFAOYSA-N
分子式
C32H66
平均分子量
450.9 g/mol
単同位体質量
450.51645211

概要

Dotriacontane is a long-chain alkane.

名称と識別子

優先名称
Dotriacontane
IUPAC
dotriacontane
英語名
n-Dotriacontane
分子式
C32H66
分子量
450.87

名称と別名

DOTRIACONTANEn-Dotriacontane544-85-4Bicetyl7KSV90RN23NSC-6361DTXSID5052202CHEBI:36020RefChem:35130DTXCID7030773208-881-5DICETYL
名称をさらに表示
MFCD00009411LacceranNSC 6361EINECS 208-881-5Dotriacontane, n-UNII-7KSV90RN23BRN 1783260AI3-52367

データベース識別子

CAS
544-85-4
PubChem CID
11008
DTXSID
DTXSID5052202
ChEBI
CHEBI:36020
UNII
7KSV90RN23
EC Number
208-881-5
Nikkaji
J13.717K

物性

構造計算による物性

XLogP
16.9
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
29
重原子数
32
形式電荷
0
複雑度
264

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]
Density0.8124 g/cu cm at 20 °C
Color/FormPlates from benzene, chloroform, acetic acid, ether
Solubility · 2 件

Insoluble in water

Slightly soluble in ethanol, chloroform; soluble in ether, carbon tetrachloride; very soluble in benzene

Boiling Point · 2 件

470 °C

466.00 to 467.00 °C. @ 760.00 mm Hg

DecompositionWhen heated to decomposition it emits acrid smoke and irritating vapors.
Melting Point · 2 件

69.7 °C

74 - 75 °C

Refractive IndexIndex of refraction: 1.4550 at 20 °C
Physical Description · 2 件

White flakes; [Alfa Aesar MSDS]

Solid

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% (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.

危険有害性情報

Regulatory InformationDotriacontane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntravenous LD50 (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Toxic Combustion ProductsCarbon 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

安全と保護具

Fire Fighting Procedures · 2 件

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 · 1 件

化学と産業

薬理情報

Absorption, Distribution and Excretion · 2 件

Samples of the pork, veal and chicken imported into Italy from other countries were analyzed to ascertain saturated and unsaturated hydrocarbon levels. Gas chromatography-mass spectrometry analysis showed overall n-alkane levels to be in the range of 0.3-10.5 ppm. n-Alkanes ranged from C12-C33. Phytenes were found only in bovine tissue. No alkenes were present in any of the samples analyzed. /n-Alkanes/

Nose only inhalation exposure and intratracheal inoculation were described as methods which allow lung only exposures to hazardous materials. For nose only inhalation studies, animals were restrained in stocklike holders or whole body tubes and the nose of each animal protruded into either a chamber or channel where the aerosols were delivered. Over 70% of the material was deposited in the lung of the exposed animals, compared to 13% obtained by traditional exposure methods. There was little external body exposure and therefore little ingestion through preening. Particulate deposition and distribution were quite reproducible, with animal to animal variation of less than 20%. The major disadvantage to the nose only exposure system was that the animals were restrained and not allowed access to food or water during exposure. Results obtained using dotriacontane and catechol were described. For intratracheal inoculation, the material being studied was placed in the lung to allow direct interaction with lung cells. A blunt needle was carefully inserted down the throat of the animal, past the tracheal rings to the bifurcation of the lung where the material was injected. The technique was similar for rats, mice, and hamsters. The procedure was fairly simple and rapid, allowing injection of many animals per day. A wide range of treatment doses could be given and repeated over long periods of time; the chemicals bypassed the upper respiratory tract. The disadvantages to the method included the fact that this was not a normal route of exposure, anesthesia was required, the particle size delivered to the lung may not be uniform, and special care was needed to insure that animals survived the procedure.

Cellular LocationsMembrane

用途と製造

Uses · 3 件

Research

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

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
Stability/Shelf Life
Stable under recommended storage conditions.

物理化学的性質

融点
69.7 °C · 69.7 °C
沸点
467 °C · 467 °C
比重(密度)
0.9162 g/cm3 · 0.9162 g/cm3(Temp: 60 °C)

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.

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

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

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.

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: 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.

Personal Protective Equipment (PPE) · 4 件

Skin protection: Handle with gloves.

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

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: 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 7.9X10+8(SRC), determined from a structure estimation method(2), indicates that dotriacontane is expected to be immobile in soil(SRC). Volatilization of dotriacontane from moist soil surfaces is expected to be a fate process(SRC) given an estimated Henry's Law constant of 2700 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Dotriacontane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). A biodegradation oxygen consumption value of 7.8 ug/mL using a soil suspension(3) indicates that biodegradation of dotriacontane may be a slow environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 7.9X10+8(SRC), determined from a structure estimation method(2), indicates that dotriacontane 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 2700 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 6.2 hours and 8.4 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 more than 2 years if adsorption is considered (4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 16.06(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A biodegradation oxygen consumption value of 7.8 ug/mL using a soil suspension(5) indicates that biodegradation of dotriacontane 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), dotriacontane, which has an estimated vapor pressure of 2X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase dotriacontane 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 9 hours (SRC), calculated from its rate constant of 4.22X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(2). Particulate-phase dotriacontane may be removed from the air by wet and dry deposition(SRC). Dotriacontane 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 · 1 件

IDENTIFICATION AND USE: Dotricantane is a higher n-alkane containing 32 carbon atoms (C32). It is used in research. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: Inhalation studies in cigarette-smoking baboons have been performed using (14)C-dotriacontane as a label for particulate matter. (14)C-dotriacontane was recovered from the lungs lavage. Samples of the pork, veal and chicken contained n-alkanes ranged from C12-C33.

Plant Concentrations · 2 件

Dotriacontane detections in plants used in food and medicinal applications(1). /Dotriacontane/[Table#8389]

n-Dotriacontane detections in plants used in food and medicinal applications(1).[Table#8390]

Effluent ConcentrationsAlkanes (C20-C32) were the most abundant trace organic compounds found in vehicle exhaust particulate matter with an emission factor of <0.1 ug/km for dotriacontane from diesel driven light-duty vehicles(1).
Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dotriacontane can be estimated to be 7.9X10+8(SRC). According to a classification scheme(2), this estimated Koc value suggests that dotriacontane is expected to be immobile in soil.

Natural Pollution SourcesDotriacontane is detected in various plants used in food and medicinal applications(1).
Atmospheric Concentrations · 3 件

URBAN/SUBURBAN: Dotriacontane was detected in particulate air samples from Georgia Tech campus, GA at mean concentrations of 0.5 and 0.9 ng/cu m for summer 2005 and winter 2006, respectively(1). A mean dotriacontane concentration of approximately 5 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). Dotriacontane concentration were 7.3 and 5.1 ng/cu m in particulate phase in the summer and winter, respectively; concentrations of 0.7 and 0.6 ng/cu m were detected in the vapor phase in summer and winter, respectively; samples were collected in an urban area in Nagoya, Japan in 1991(3).

RURAL/REMOTE: Dotriacontane was detected in particulate air samples from a rural area of Yorkville, GA at mean concentrations of 0.08 and 0.38 ng/cu m for summer and winter, respectively(1).

SOURCE DOMINATED: Dotriacontane was detected in particulate air samples from an interstate highway in Georgia at a mean concentration of 0.61 and 1.27 ng/cu m for summer and winter, respectively(1). Dotriacontane was detected at 25-190 pg/cu m with a mean of 93 pg/cu m in particulate air samples collected near a highway in Raleigh, NC; concentrations in samples collected 275 meters from the highway contained 20-240 pg/cu m with a mean of 80 pg/cu m(2).

Artificial Pollution SourcesAlkanes such as dotriacontane 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: Oxygen consumption of 7.8 ug/mL over 10 days was reported for dotriacontane using a soil suspension of Hudson-Collamer silt loam soil incubated in the dark at 25 °C(1).

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. Data reported for similar long chain alkanes, hexacosane (C26), octacosane (C28), and triacontane (C30), which were present as components of the petroleum oil, indicate that these compounds were degraded by 4 of 5 bacterial strains with certain nitrogen sources and consumption ranged from 5 to 96%(1). Other long chain alkanes such as dotriacosane (C32) may behave similarly(SRC).

Sediment/Soil ConcentrationsSEDIMENT: Dotriacontane concentrations ranged from 2.0 to 400 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 · 1 件

An estimated BCF of 3 was calculated in fish for dotriacontane(SRC), using an estimated log Kow of 16.06(1) 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).

Volatilization from Water/Soil · 1 件

The Henry's Law constant for dotriacontane is estimated as 2700 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dotriacontane is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 6.2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8.4 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is greater than 2 years when adsorption is considered(3). Dotriacontane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dotriacontane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2X10-7 mm Hg(SRC), determined from a fragment constant method(4).

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 · 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 · 3 件

Dotriacontane: ACTIVE

Dotriacontane is found in coconut. Dotriacontane is a constituent of Mentha aquatica (water mint).

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/

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