HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
n-Heptadecan
HEPTADECANE · n-Heptadecan · Normal-heptadecane · ALKANE C17 · NSC 172782 · N-HEPTADECANE · Heptadecane>decaheptalkane · Heptadecane,99%
Identifikatoren & physikalische Daten
| CAS No. | 629-78-7 |
|---|---|
| Summenformel | C17H36 |
| Durchschnittliche Molmasse | 240,5 g/mol |
| Monoisotopische Masse | 240,28170115 g/mol |
| SMILES | CCCCCCCCCCCCCCCCC |
| InChIKey | NDJKXXJCMXVBJW-UHFFFAOYSA-N |
| PubChem CID | 12398 |
| ChEMBL | CHEMBL3185332 |
| ChEBI | CHEBI:16148 |
| EC No. | 211-108-4 |
| DTXSID | DTXSID7047061 |
| Lokaler Name | n-Heptadecan |
Chemische & physikalische Eigenschaften
| XLogP | 8,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 103 |
| Stoffklassen | Other Classes -> Aliphatics, Saturated (>C11)n-Alkane |
| Lipide | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
| SpringerMaterials Properties | Gibbs energy |
| Duftstoffe | Fragrance Ingredient (Heptadecane) -> IFRA transparency List |
| Geruch | Fuel-like |
| Dichte | 0.778 at 68 °F (NTP, 1992) - Less dense than waterwill float0.7780 g/cu cm at 20 °C0.777 g/mL at 25 °C(lit.) |
| Color/Form | Hexagonal leafletsColorless liquid |
| Löslichkeit | In water, 2.3X10-3 mg/L at 25 °CInsoluble in waterSlightly soluble in ethanol, carbon tetrachloridesoluble in ethyl etherChloroform (Slightly), Hexane (Slightly)Immiscible with water. |
| Flammpunkt | 149 °C (300 °F) - closed cup |
| Siedepunkt | 575.2 °F at 760 mmHg (NTP, 1992)303 °C302 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors |
| Schmelzpunkt | 72 °F (NTP, 1992)21.97 °C20-22 °C(lit.) |
| Dampfdichte | 8.3 (vs air) |
| Dampfdruck | 1 mm Hg ( 115 °C) |
| Brechungsindex | n20/D 1.436(lit.) |
| Lagerbedingungen | room temp |
| Aggregatzustand | Liquid After Melting |
| Wichte | 0.7783 |
| Farbe | Clear colorless |
| BRN | 1738898 |
| Henry-Konstante | 2.2×10-7 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| Hauptanwendungen | petroleum |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGSKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey | NDJKXXJCMXVBJW-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCC |
| LogP (Verteilungskoeffizient) | 8.69 at 25℃ |
| CAS Datenbank | 629-78-7(CAS DataBase Reference) |
| EPA chemische Informationen | Heptadecane (629-78-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 14.5% (59 of 408) of reports.DangerH304 (84.6%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P301+P316, P331, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 408 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: HeptadecaneStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22735Heptadecane: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Heptadecane: Human health tier I assessment |
| Brandgefahren | Flash point data for this compound is not available,but it is probably combustible. (NTP, 1992) |
| Gefahrenübersicht | May cause irritationAn aspiration hazard by ingestion (may cause lung damage)[Sigma-Aldrich MSDS] |
| Reaktive Gruppe | Hydrocarbons, Aliphatic Saturated |
| Reactivity Profile | Saturated aliphatic hydrocarbons, such as N-HEPTADECANE, 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 Reactions | Flammable. Insoluble in water. |
| Toxic Combustion Products | Special hazards arising from the substance or mixture: Carbon oxides |
| Hazard Classes and Categories | Asp. Tox. 1 (84.6%) |
| Skin, Eye, and Respiratory Irritations | /Higher alkanes/ may cause eye and skin irritation. |
| Hazardous Reactivities and Incompatibilities | Incompatible materials: Strong oxidizing agents. |
| Brandbekämpfung | A fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992) |
| Erste Hilfe | 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. |
| Brandbekämpfungsverfahren | 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. |
| Lagerbedingungen | Conditions for safe storage, including any incompatibilities: 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. |
| Reinigungsverfahren | ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol 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. |
| Entsorgungsverfahren | 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 qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand 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 | ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains.Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Normal measures for preventive fire protection.Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.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. |
| Protective Action Criteria (PAC) | 43 [mg/m3]470 [mg/m3]2800 [mg/m3] |
| Personal Protective Equipment (PPE) | 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: Face shield and safety glasses. 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: Complete suit protecting against chemicals. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), a Koc value of 2.5X10+5(2), indicates that heptadecane is expected to be immobile in soil(SRC). Volatilization of heptadecane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.1X10-2 atm-cu m/mole(3), derived from its vapor pressure, 2.28X10-4 mm Hg(4), and water solubility, 2.3X10-3 mg/L(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Heptadecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Heptadecane achieved 7 to 29% biodegradation after 28 days in sediment and marine-water inoculums(5), indicating that biodegradation is an important environmental fate process under certain conditions in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), a Koc value of 2.5X10+5(2), indicates that heptadecane 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 3.1X10-2 atm-cu m/mole(4) derived from its vapor pressure, 2.28X10-4 mm Hg(5), and water solubility, 2.3X10-3 mg/L(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.6 hours and 6.2 days, respectively(SRC). However, adsorption to suspended solids and sediment is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(6). According to a classification scheme(7), an estimated BCF of 500(SRC), from its estimated log Kow of 8.69(4) and a regression-derived equation(4), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Heptadecane has a calculated half-life of 2.3 days in unacclimated pond-water(8), indicating that biodegradation is an important environmental fate process under certain conditions in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), heptadecane, which has a vapor pressure of 2.28X10-4 mm Hg at 25 °C(2), is expected to exist almost entirely as a vapor in the ambient atmosphere. Vapor-phase heptadecane 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 18 hours(SRC), calculated from its rate constant of 21X10-21 cu cm/molecule-sec at 25 °C(SRC)that was derived using a structure estimation method(3). Heptadecane 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). |
| Lebensmitteluntersuchungswerte | Heptadecane was identified but not quantified in full fat commercial frankfurter sausages (made of beef and pork) without spices or smoke(1). Heptadecane was identified as a volatile component in the edible extract of Korean Chamchwi (Aster scaber Thunb)(2). Heptadecane was detected in the extract of 8 Australian yellow box honey samples, and 8 Australian blue gum honey samples at average concentrations of 0.2 and 0.5 mg/kg, respectively(3). Heptadecane was detected in holm-oak, oak, and forest Spanish honeydew honeys in Autumn 2005 at average concentrations of 268.1, 140.0, and 169.4 ug/kg(4). |
| Toxizitätsübersicht | IDENTIFICATION AND USE: Heptadecane is a higher n-alkane containing 17 carbon atoms (C17). Heptadecane is used as stock for hydrocracking processes. It is also used in 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 found in liver, heart, kidneys, muscle and adipose bovine tissues. |
| Plant Concentrations | Heptadecane is a component of essential oils like Opuntia littoralis and Annona squamosa(1).Heptadecane detections in plants used in food and medicinal applications(1). /Heptadecane/[Table#8359]n-Heptadecane detections in plants used in food and medicinal applications(1). |
| Ongoing Test Status | EPA has released the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays/[USEPAICSS Dashboard ApplicationAvailable from, as of October 28, 2016: http://actor.epa.gov/dashboard/] |
| Effluent Concentrations | Heptadecane was identified in the extract of some plastic materials from Concon, Chile(1)it was not detected in the surface extract of new plastic bags but was detected in the surface extract of roadside litter and landfill trash at concentrations of 1.7 and 7.6 ug/g, respectivelyit was detected in the particulate matter of open burn smoke from new plastic bags, roadside litter, and landfill trash, at concentrations of 8.7, 5.8, and 8.4 ng/mg, respectivelyheptadecane was not detected in the surface extract nor the open burn smoke of new plastic bags from the United States(1). Average concentrations of heptadecane emitted as a result of Chinese cooking styles were reported as 139, 50, 45, and 29 ng/mg, for Cantonese style, Sichuan style, Dongbei style, and Hunan style cooking, respectively(2). |
| Soil Adsorption/Mobility | The Koc of heptadecane is 2.5X10+5(1). According to a classification scheme(2), this Koc value suggests that heptadecane is expected to be immobile in soil. |
| Natural Pollution Sources | Heptadecane is detected in various parts and tissues of plants used in food and medicinal applications(1). |
| Atmospheric Concentrations | URBAN/SUBURBAN: In 2002, heptadecane was detected in the gas-phase but not the particulate-phase of urban and industrial air samples from Prato, Italy at an average concentration of approximately 16 ng/cu m(1). During late fall and winter seasons heptadecane 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 not detected, 4.2, not detected, and 28.7 ng/cu m, respectively(2).SOURCE DOMINATED: Heptadecane was detected in the gas phase of tailpipe emissions from catalyst equipped and non-catalyst equipped gasoline powered motor vehicles at concentrations of 4.4 and 130 ug/km, respectivelyit was also detected in the gasoline at 5.6 ug/g(1). |
| Fish/Seafood Concentrations | Mean concentrations for heptadecane of 2080, 2520, and 192 ng/g were determined in the volatile component of Korean salt-fermented fish and shrimp pastes from a Korean market that were made from anchovy, hair tail viscera, and shrimp, respectively(1). Barnacle samples collected from five locations in the Arabian Gulf had concentrations of heptadecane ranging from trace to 760 ng/g(2). Catfish samples collected from seven locations in the Arabian Gulf had concentrations of heptadecane ranging from <0.1 to 218 ng/g(3). Heptadecane was detected in the sediments from the coastal waters of Karachi but not detected in oyster samples (Crassostrea rivularis and Perna virdis) or fish samples Mugil sp and Acanthopagurus sp collected from the same areas(4). |
| Artificial Pollution Sources | Alkanes such as heptadecane 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 | AEROBIC: Biodegradation of heptadecane will occur under certain environmental conditions. Using a sediment sample and marine-water taken from Colgate Creek, Maryland (a relatively oil polluted environment), 29% heptadecane was utilized by bacteria after 28 daysusing a sediment sample and marine-water taken from Eastern Bay, Maryland (a relatively oil free environment), 7% heptadecane was utilized by bacteria after 28 daysusing the sediment sample from Colgate Creek in water taken from Eastern Bay, 24.5% heptadecane was utilized by bacteria after 28 daysusing a sediment sample from Eastern Bay and water from Colgate Creek, 12% heptadecane was utilized by bacteria after 28 days(1). Heptadecane, present as a component of Biodiesel, has a calculated half-life of 2.3 days, from examination of the primary aerobic biodegradation of commercial biodiesel fuel at 100 ppm, using unacclimated pond-water(2). |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29011000 |
| RTECS-Nr. | MI3550000 |
| R-Sätze (R) | 65-36/37/38-66 |
| Toxizität | mouse,LDLo,intravenous,9821mg/kg (9821mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 62-36-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrstoffdaten | 629-78-7(Hazardous Substances Data) |
| Gefahrenklasse | Asp. Tox. 1 |
Anwendungen & Verwendung
Verwenden
n-Heptadecane is used as an internal standard to study the first direct comparison of kava lactone extraction efficiencies. It plays an important role as a suspended solvent used for the extraction and concentration of essential oil. It is used as a precursor in the production of iminoctadine triacetate
Verwenden
n-Heptadecane is a linear alkane that forms part of the diesel fuel fraction in petroleum. It can be used as a model compound for Fischer-Tropsch (FT) waxes, and through selective hydrogenation into shorter branched alkanes, it is utilised in the production of high-quality jet fuel[1].
Herstellung & Synthese
synthetische
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.