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HCID 11636생성일: 2026년 11월 2일

헵타코세인

헵타코세인 · 헵타코산 · HEPTACOSANE · ALKANE C27 · n-Heptacosan · N-Heptacosane · Heptacosane>HEPTACOSANE 98+% · N-HEPTACOSANE 95+%

https://huagongshe.com/ko/chemical/11636

헵타코세인 분자 구조식

식별자 및 물리적 특성

CAS No.593-49-7
분자식C27H56
평균 분자량380.7 g/mol
단동위원소 질량380.43820179 g/mol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKeyBJQWYEJQWHSSCJ-UHFFFAOYSA-N
PubChem CID11636
ChEBICHEBI:32941
EC No.209-792-4
DTXSIDDTXSID6058637
현지명헵타코세인

화학 및 물리적 성질

XLogP14.2
극성 표면적0
수소 결합 공여자 수0
수소 결합 수용자 수0
회전 가능 결합 수24
무거운 원자 수27
형식 전하0
복잡도208
물질 분류Other Classes -> Aliphatics, Saturated (>C11)n-Alkane
지질Fatty Acyls [FA] -> Hydrocarbons [FA11]
밀도Density: 0.7796 g/cu cm at 60 °C
Color/FormCrystals form alcohol, benzeneleaves from ethyl acetate
용해도Insoluble in waterInsoluble in ethanolslightly soluble in ether
끓는 점442 °C270 °C15 mm Hg(lit.)
녹는점58.8 °C58-60 °C(lit.)
증기압VP: 1 Pa at 136.7 °C10 Pa at 168.8 °C100 Pa 206.5 °C1 kPa at 255.8 °C10 kPa at 323.3 °C100 kPa at 421.2 °C2.8X10-9 mg/L at 25 °C (extrapolated)
굴절률Index of refraction: 1.4345 at 65 °C
Physical DescriptionWhite crystalline powder[Alfa Aesar MSDS]
Stability/Shelf LifeStable under recommended storage conditions.
인화점270°C/15mm
저장 조건Store at room temperature
용해도물에 불용성
색상흰색에서 거의 흰색
BRN1706242
헨리 상수7.7×10-9 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKeyBJQWYEJQWHSSCJ-UHFFFAOYSA-N
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC
LogP(분배 계수)14.463 (est)
EPAHeptacosane (593-49-7)

화학적 성질

Crystals.Soluble in alcohol; insoluble in water.

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.Not ClassifiedAggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 요약May 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
소화 절차Wear self-contained breathing apparatus for firefighting if necessary.Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
보관 조건Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non Combustible Solids
정리 방법ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: No special environmental precautions required. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.
처리 방법SRP: 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
Further processing of solid materials may result in the formation of combustible dusts. The potential for combustible dust formation should be taken into consideration before additional processing occurs. Provide appropriate exhaust ventilation at places where dust is formed.ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: No special environmental precautions required.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. Full contactSRP: 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.
Personal Protective Equipment (PPE)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).
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3.9X10+7(SRC), determined from a structure estimation method(2), indicates that heptacosane is expected to be immobile in soil(SRC). Volatilization of heptacosane from moist soil surfaces is expected(SRC) given an estimated Henry's Law constant of 655 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Heptacosane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 2.81X10-7 mm Hg at 25 °C(3). Biodegradation oxygen consumption values of 8.2 and 7.6 ug/mL for analogous tetracosane (C24) and hexatriacontane (C36), respectively, using a soil suspension(4) indicate that biodegradation of heptacosane may be a slow environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3.9X10+7(SRC), determined from a structure estimation method(2), indicates that heptacosane 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 655 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 5.7 hours and 7.7 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 8(SRC), from an estimated log Kow of 13.60(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation oxygen consumption values of 8.2 and 7.6 ug/mL for analogous tetracosane (C24) and hexatriacontane (C36), respectively, using a soil suspension(6) indicate that biodegradation of heptacosane 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), heptacosane, which has an extrapolated vapor pressure of 2.81X10-7 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase heptacosane 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 11 hours(SRC), calculated from its rate constant of 3.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase heptacosane will be removed from the atmosphere by wet and dry deposition(SRC). Heptacosane 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).
독성 요약IDENTIFICATION AND USE: Heptacosane is a higher n-alkane containing 27 carbon atoms (C27). 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 ConcentrationsHeptacosane detections in plants used in food and medicinal applications(1). /Heptacosane/[Table#8379]n-Heptacosane detections in plants used in food and medicinal applications(1).
Animal ConcentrationsHeptacosane was found in several species of wasps, including Dolichovespula maculata and Vespula maculifronsit was the major hydrocarbon at 14% in Vespula squamosa(1). The compound was found in the cuticular surface lipids of the cockroaches Leucophaea maderae and Blatta orientalis(2). Heptacosane was found in several species of fireflies including Lucidota atra, Photuris lucicrescens and Photuris cinctipennis(3).
Effluent ConcentrationsAlkanes (C20-C32) were the most abundant trace organic compounds found in particulate matter from vehicle exhaust with emission factors for heptacosane from diesel driven light-duty vehicles of 1.76-35.4 ug/km(1). Heptacosane was detected in the gas and particle phase of tailpipe emissions from non-catalyst equipped gasoline powered motor vehicles at concentrations of 2.4 and 391 ug/km, respectively(2).
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of heptacosane can be estimated to be 3.9X10+7(SRC). According to a classification scheme(2), this estimated Koc value suggests that heptacosane is expected to be immobile in soil.
Natural Pollution SourcesHeptacosane has been detected in various parts of a least 20 varieties of plants(1). Heptacosane was found in several species of wasps including Dolichovespula maculata, Vespula squamosa and Vespula maculifrons(2). Heptacosane was found in the cuticular surface lipids of the cockroaches: Leucophaea maderae and Blatta orientalis(3). Heptacosane was found in several species of fireflies including Lucidota atra, Photuris lucicrescens and Photuris Cinctipennis(4).
Atmospheric ConcentrationsURBAN/SUBURBAN: Heptacosane was detected in particulate air samples from Georgia Tech campus, GA at mean concentrations of 1.96 and 1.82 ng/cu m for summer 2005 and winter 2006, respectively(1). A mean heptacosane concentration of approximately 22 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). Heptacosane concentration was 11.9 and 8.5 ng/cu m in particulate phase in the summer and winter, respectivelythe concentration was 3.1 and 1.0 ng/cu m in the vapor phase in summer and winter, respectivelysamples were collected in an urban area in Nagoya, Japan in 1991(3).RURAL/REMOTE: Heptacosane was detected in particulate air samples from a rural area of Yorkville, GA at mean concentrations of 0.40 and 1.33 ng/cu m for summer and winter, respectively(1).SOURCE DOMINATED: Heptacosane was detected at 140-1260 pg/cu m with a mean of 480 pg/cu m in particulate air samples collected near a highway in Raleigh, NCconcentrations in samples collected 275 meters from the highway contained 190-2000 pg/cu m with a mean of 490 pg/cu m(1). Heptacosane was detected in particulate air samples from an interstate highway in Georgia at a mean concentration of 2.69 and 2.56 ng/cu m for summer and winter, respectively(2).
Fish/Seafood ConcentrationsCatfish (Arius bilineatus) collected from seven locations in the Arabian Gulf had concentrations of C27 alkanes ranging from not detected to 2.9 ng/g wet weight(1).
Artificial Pollution SourcesAlkanes such as heptacosane may be components in petroleum products(1) and may be released to the environment through the processing and combustion of petroleum products(SRC).
Environmental BiodegradationAEROBIC: Oxygen consumption of 8.2 and 7.6 ug/mL over 10 days was reported for straight chain alkanes tetracosane (C24) and hexatriacontane (C36), 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 heptacosane (C27) 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. 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).
Sediment/Soil ConcentrationsSEDIMENT: Heptacosane concentrations were 7.7-429 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).
수질 위해 등급(WGK)3
RTECS 번호209-792-4
관세 코드29011000
안전 문구(S)22-24/25
기존화학 물질KE-18215
저장 분류11 - Combustible Solids
유해 물질 데이터593-49-7(Hazardous Substances Data)