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디벤조[B,K]크리센

Dibenzo(b,k)Chrysene

HCID 9169
노트반응
기본 정보이름 및 식별자물성안전 및 규제관련 반응화합물 노트
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기본 정보

CAS
195-00-6
표준 SMILES
c1ccc2cc3c(ccc4c5cc6ccccc6cc5ccc34)cc2c1
InChIKey
DHCSBRKYHMINPB-UHFFFAOYSA-N
분자식
C26H16
평균 분자량
328.4 g/mol
단동위원소 질량
328.12520051

이름 및 식별자

우선 이름
Dibenzo(b,k)Chrysene
IUPAC
hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene
현지명
디벤조[B,K]크리센
영어명
DIBENZO[B,K]CHRYSENE
분자식
C26H16
분자량
328.41

이름 및 동의어

Dibenzo[b,k]chrysene217-54-9DIBENZO(B,K)CHRYSENEAnth(2,1-a)anthreneAnthraceno(2,1-a)anthracene9825OSH3THHSDB 21592',1'-Anthra-1,2-anthraceneAnthraceno(2',1':1,2)anthracene2',1'-ANTHRA-1,2-ANTHRACENE [HSDB]Anth(2,1a)anthreneRefChem:586387
이름 더 보기
디벤조[B,K]크리센2’,1’-anthra-1,2-anthraceneanthraceno(2’,1’:1,2)anthraceneDibenzo[b,k]chrysene in tolueneDibenzo[b,k]chrysene in dichloromethane
Anthraceno(2,1a)anthracene2',1'Anthra1,2anthracene195-00-6naphtho[2,3-c]tetraphenehexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaeneAnthra(1,2-a)anthraceneUNII-9825OSH3THSCHEMBL1760670

데이터베이스 식별자

CAS
195-00-6、217-54-9
PubChem CID
9169
DTXSID
DTXSID70941259
UNII
9825OSH3TH
Nikkaji
J488.769G

물성

구조 계산 물성

XLogP
7.6
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
26
형식 전하
0
복잡도
462

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Melting Point400 °C

물리화학적 성질

녹는점
400 °C · 400 °C
끓는 점
604.1 · 604.1±22.0 °C(Predicted)
밀도
1.263 · 1.263±0.06 g/cm3(Predicted)
Henry's Law Constant
1.2 · 1.2×103 mol/(m3Pa) at 25℃, HSDB (2015)

안전 및 규제

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

유해성 정보

Hazards SummaryEmergency treatment: Polynuclear aromatic hydrocarbons; Acute toxicity of PAHs is low; May cause photosensitivity; May cause cancer after chronic exposure; [HSDB] See POLYCYCLIC AROMATIC HYDROCARBONS.
OSHA StandardsPermissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 0.2 mg/cu m. /Coal tar pitch volatiles (benzene soluble fraction), anthracene, BaP, phenanthrene, acridine, chrysene, pyrene/
NIOSH Recommendations · 2건

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.1 mg/cu m (cyclohexane-extractable fraction). /Coal tar pitch volatiles/

NIOSH considers coal tar pitch volatiles to be potential occupational carcinogens. NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration. /Coal tar pitch volatiles/

Clean Water Act Requirements · 2건

Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Polynuclear aromatic hydrocarbons (including benzanthracenes, benzopyrenes, benzofluoranthene, chrysenes, dibenz-anthracenes, and indenopyrenes)/

For the maximum protection of human health from the potential carcinogenic effects of exposure to polynuclear aromatic hydrocarbons through ingestion of contaminated water and contaminated aquatic organisms, the ambient water concentration should be zero, based on the nonthreshold assumption for this chemical. However, zero level may not be attainable at the present time. Therefore, the levels which may result in incremental increase of cancer risk over the lifetime are estimated at 1X10-5, 1X10-6, and 1X10-7. The corresponding recommended criteria are 28.0 ng/L, 2.8 ng/L, and 0.28 ng/L, respectively. If these estimates are made for consumption of aquatic organisms only, excluding consumption of water, the levels are 311.0 ng/L, 31.1 ng/L, and 3.11 ng/L, respectively. /Polynuclear aromatic hydrocarbons/.

안전 및 보호

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.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Preventive Measures · 3건

The worker should wash daily at the end of each work shift, and prior to eating, drinking, smoking, etc. /Coal tar pitch volatiles/

Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises. /Coal tar pitch volatiles/

SRP: Contaminated protective clothing should be segregated in a manner such that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. The completeness of the cleaning procedures should be considered before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at the end of shift, but should remain at employee's place of work for cleaning.

Threshold Limit Values (TLV) · 5건

8 Hr Time Weighted Avg (TWA): 0.2 mg/cu m. /Coal tar pitch volatiles, as benzene soluble aerosol/

Peak Exposure Recommendation: Transient increases in workers' exposure levels may exceed 3 times the value of the TLV-TWA level for no more than 15 minutes at a time, on no more than 4 occasions spaced 1 hour apart during a workday, and under no circumstances should they exceed 5 times the value of the TLV-TWA level. In addition, the 8-hour TWA is not to be exceeded for an 8-hour work period. /Coal tar pitch volatiles, as benzene soluble aerosol/

A1; Confirmed human carcinogen. /Coal tar pitch volatiles, as benzene soluble aerosol/

Biological Exposure Index (BEI): Determinant: 1-Hydroxypyrene (1-HP) in urine (with hydrolysis); Sampling Time: end of shift at end of workweek. BEI: None.; Biological monitoring should be considered for this compound based on the review; however, a specific BEI could not be determined due to insufficient data. /Polycyclic aromatic hydrocarbons/

For more Threshold Limit Values (TLV) (Complete) data for Dibenzo(b,k)chrysene (6 total), please visit the HSDB record page.

Personal Protective Equipment (PPE) · 2건

Respirator Recommendations: At concentrations above the NIOSH REL, or where there is no REL, at any detectable concentration: /Coal tar pitch volatiles/[Table#3879]

Respirator Recommendations: Escape conditions: /Coal tar pitch volatiles/[Table#3880]

Immediately Dangerous to Life or Health (IDLH)NIOSH considers coal tar pitch volatiles to be potential occupational carcinogens. /Coal tar pitch volatiles/

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2.0X10+7(SRC), determined from a structure estimation method(2), indicates that dibenzo(b,k)chrysene is expected to be immobile in soil(SRC). Volatilization of dibenzo(b,k)chrysene from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 8.5X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Dibenzo(b,k)chrysene is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.1X10-13 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). Biodegradation data in soil were not available(SRC, 2017). In general, polycyclic aromatic hydrocarbons (PAHs) with four or more benzene rings may not biodegrade readily(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2.0X10+7(SRC), determined from a structure estimation method(2), indicates that dibenzo(b,k)chrysene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 8.5X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 4700(SRC), from an estimated log Kow of 7.87(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is very high, provided the compound is not metabolized by the organism(SRC). Biodegradation data in water were not available(SRC, 2017). In general, polycyclic aromatic hydrocarbons (PAHs) with four or more benzene rings may not biodegrade readily(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dibenzo(b,k)chrysene, which has an estimated vapor pressure of 1.1X10-13 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase dibenzo(b,k)chrysene may be removed from the air by wet and dry deposition(SRC). Dibenzo(b,k)chrysene contains chromophores that absorb at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

Toxicity SummaryIDENTIFICATION AND USE: Dibenzo[b,k]chrysen is unsubstituted polycyclic aromatic hydrocarbon. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: Dibenzo[b,k]chrysene is not carcinogenic to animals.
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dibenzo(b,k)chrysene can be estimated to be 2.0X10+7(SRC). According to a classification scheme(2), this estimated Koc value suggests that dibenzo(b,k)chrysene is expected to be immobile in soil(SRC).

Natural Pollution Sources · 1건

Dibenzo(b,k)chrysene is one of many polycyclic aromatic hydrocarbons (PAH), a group of chemicals that are formed during the incomplete burning of coal, oil, gas, wood, garbage, or other organic substances. PAHs generally occur as complex mixtures, for example as part of combustion products such as soot, not as single compounds. PAHs occur naturally in volcanoes and forest fires. They can also be found in substances such as crude oil and coal. They are found throughout the environment in the air, water, and soil(1). /Polycyclic aromatic hydrocarbons/

Artificial Pollution Sources · 1건

Dibenzo(b,k)chrysene is one of many polycyclic aromatic hydrocarbons (PAH), a group of chemicals that are formed during the incomplete burning of coal, oil, gas, wood, garbage, or other organic substances. PAHs generally occur as complex mixtures, for example as part of combustion products such as soot, not as single compounds. /Polycyclic aromatic hydrocarbons/

Environmental BiodegradationPolycyclic aromatic hydrocarbons (PAHs) with four or more rings, such as dibenzo(b,k)chrysene, are generally expected to be resistant to biodegradation(1).
Environmental Bioconcentration · 1건

An estimated BCF of 4700 was calculated in fish for dibenzo(b,k)chrysene(SRC), using an estimated log Kow of 7.87(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is very high, provided the compound is not metabolized by the organism(SRC). However, bioconcentration studies on compounds which are structurally similar suggest that bioconcentration may be lower than that indicated by the regression-derived equations due to the ability of some aquatic organisms to readily metabolize this polycyclic aromatic hydrocarbons(3).

Volatilization from Water/Soil · 1건

The Henry's Law constant for dibenzo(b,k)chrysene is estimated as 8.5X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dibenzo(b,k)chrysene is expected to be essentially nonvolatile from water surfaces(2). Dibenzo(b,k)chrysene is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.1X10-13 mm Hg(SRC), determined from a fragment constant method(3).

Non-Human Toxicity Excerpts/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Carcinogenic activities of unsubstituted polycyclic aromatic hydrocarbons: dibenzo[b,k]chrysene; inactive. /From table/
Environmental Abiotic Degradation · 1건

Dibenzo(b,k)chrysene is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). Dibenzo(b,k)chrysene contains chromophores that absorb at wavelengths >290 nm(1) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

Probable Routes of Human Exposure · 1건

Occupational exposure to dibenzo(b,k)chrysene may occur through inhalation of dust particles contaminated with incomplete combustion products and dermal contact with incomplete combustion products containing dibenzo(b,k)chrysene. The most likely pathway by which the general public is exposed to dibenzo(b,k)chrysene is by inhalation due to the probable release of this substance from combustion smoke. (SRC)

Environmental Fate/Exposure Summary · 1건

Dibenzo(b,k)chrysene is one of many polycyclic aromatic hydrocarbons (PAH), a group of chemicals that are formed during the incomplete burning of coal, oil, gas, wood, garbage, or other organic substances. If released to air, an estimated vapor pressure of 1.1X10-13 mm Hg at 25 °C indicates dibenzo(b,k)chrysene will exist solely in the particulate phase in the atmosphere. Particulate-phase dibenzo(b,k)chrysene will be removed from the atmosphere by wet and dry deposition. Dibenzo(b,k)chrysene contains chromophores that absorb at wavelengths >290 nm and, therefore, may be susceptible to direct photolysis by sunlight. If released to soil, dibenzo(b,k)chrysene is expected to be immobile based upon an estimated Koc of 2.0X10+7. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 8.5X10-9 atm-cu m/mole. Dibenzo(b,k)chrysene is not expected to volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation data in soil or water were not available. In general, polycyclic aromatic hydrocarbons with four or more benzene rings may not biodegrade readily. If released into water, dibenzo(b,k)chrysene is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is not expected to be an important fate process based upon this compound's estimated Henry's Law constant. An estimated BCF of 4700 suggests the potential for bioconcentration in aquatic organisms is very high, provided the compound is not metabolized by the organism. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions (pH 5 to 9). Occupational exposure to dibenzo(b,k)chrysene may occur through inhalation of dust particles contaminated with incomplete combustion products and dermal contact with incomplete combustion products containing dibenzo(b,k)chrysene. (SRC)

규제 정보

Clean Water Act Requirements · 2건

Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Polynuclear aromatic hydrocarbons (including benzanthracenes, benzopyrenes, benzofluoranthene, chrysenes, dibenz-anthracenes, and indenopyrenes)/

For the maximum protection of human health from the potential carcinogenic effects of exposure to polynuclear aromatic hydrocarbons through ingestion of contaminated water and contaminated aquatic organisms, the ambient water concentration should be zero, based on the nonthreshold assumption for this chemical. However, zero level may not be attainable at the present time. Therefore, the levels which may result in incremental increase of cancer risk over the lifetime are estimated at 1X10-5, 1X10-6, and 1X10-7. The corresponding recommended criteria are 28.0 ng/L, 2.8 ng/L, and 0.28 ng/L, respectively. If these estimates are made for consumption of aquatic organisms only, excluding consumption of water, the levels are 311.0 ng/L, 31.1 ng/L, and 3.11 ng/L, respectively. /Polynuclear aromatic hydrocarbons/.

안전 데이터

유해 물질 데이터
217-54-9(Hazardous Substances Data)

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