191-30-0 structure, C24H14

dibenzo[a,l]pyrene

CAS No.

191-30-0

Formula:

C24H14

Basic Info

Dibenzopyrenes are a group of high molecular weight polycyclic aromatic hydrocarbons with the molecular formula C24H14. There are five isomers of dibenzopyrene which differ by the arrangement of aromatic rings: dibenzo[a,e]pyrene, dibenzo[a,h]pyrene, dibenzo[a,i]pyrene, dibenzo[a,l]pyrene, and dibenzo[e,l]pyrene.
Dibenzopyrenes have been recognized for their suspected human carcinogenicity. The most notable dibenzopyrene isomer, dibenzo[a,l]pyrene, is thought to be 30 to 100 times more potent as a carcinogen than benzo[a]pyrene. The four dibenzopyrene isomers; dibenzo[a,e]pyrene, dibenzo[a,h]pyrene, dibenzo[a,i]pyrene, dibenzo[a,l]pyrene are included in the list of 16 EU priority polycyclic aromatic hydrocarbons due to their mutagenicity and suspected human carcinogenicity.
Primary sources of dibenzopyrenes in the environment are combustion of wood and coal, gasoline and diesel exhaust, and tires.

Formula
C24H14
Molecular Weight
302.368
Exact Mass
302.11
LogP
6.8904
PSA
0
Synonyms

1,2,3,4-Dibenzpyrene

dibenzo<def,p>crysene

1,2,9,10-Dibenzopyrene

4,5,6,7-Dibenzpyrene

Dibenzo[def,p]chrysene

Dibenzo[a,l]pyrene

Dibenz<al>pyrene

1,2:3,4-Dibenzopyrene

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Properties

Density
1.28g/cm3
Boiling Point
630.6ºC at 760 mmHg
Melting Point
162.4ºC
Flash Point
349.8ºC
Refractive Index
1.763
Stability
Stable, but may be heat sensitive - keep cool. Combustible. Incompatible with strong oxidizing agents.
Storage Condition
2-8ºC
Vapor Pressure
3.99E-15mmHg at 25°C

Safety Info

Risk Statements
R40
HS Code
2902909090
RIDADR
UN 2811
Hazard Class
6.1(b)
Packing Group
III
Hazard Codes

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name dibenzo[a,l]pyrene

1.2 Other means of identification

Product number -
Other names 1,2,3,4-Dibenzpyrene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H350 May cause cancer

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/…

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
dibenzo[a,l]pyrene dibenzo[a,l]pyrene 191-30-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

For immediate first aid: Ensure that adequate decontamination has been carried out. If victim is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep victim quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: SMALL FIRE: Dry chemical, CO2 or water spray. LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. (ERG, 2016)

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2016)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. 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. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Dibenzo(a,l)pyrene is a yellow odorless crystals or flakes. Water insoluble.
Colour PALE YELLOW PLATES FROM ETHANOL, OR PALE YELLOW PLATES FROM ETHANOL/BENZENE
Odour no data available
Melting point/ freezing point 162.4ºC
Boiling point or initial boiling point and boiling range 630.6ºC at 760 mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 349.8ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility SOL IN CONCN SULFURIC ACID
Partition coefficient n-octanol/water (log value) log Kow = 7.71
Vapour pressure 3.99E-15mmHg at 25°C
Density and/or relative density 1.28g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as DIBENZO(A,L)PYRENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

No data are available in humans. Sufficient evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 2B: The agent is possibly carcinogenic to humans.

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

Dibenz(a,l)pyrene at a concentration of 500 mg/l was incubated aerobically for 144 hours with activated sludge from three Tennessee municipal treatment plants(Ashland City, Franklin, and Nashville)(1). Dibenzo(a,l)pyrene was toxic to Ashland City activated sludge based on the theoretical oxygen demand at 24, 72, 144 hours, respectively. At a sludge concentration of 5000 mg/l, 0.1 and 0.8% of the theoretical oxygen demand was reached at 24 and 144 hours, respectively. Nashville at 2500 mg/l activated sludge gave 0.9%, 1.0%, and 1.8% of the theoretical oxygen demand at 24, 72, and 144 hours, respectively. At a sludge concentration of 5000 mg/l, negative values and 6.2% of the theoretical oxygen demand were reached at 24 and 144 hours, respectively. Dibenzo(a,l)pyrene was toxic to the Franklin sludge except at the 24 hour timepoint (0.1% of the theoretical oxygen demand). At a sludge concentration of 5000 mg/l, 0.5% and negative values for the theoretical oxygen demand were reached at 24 and 144 hours, respectively. These results indicate that dibenzo(a,l)pyrene is very poorly oxidized by activated sludge populations(1).

12.3 Bioaccumulative potential

A BCF of 426,000 was calculated for dibenzo(a,l)pyrene, using an experimental log Kow of 7.71(1) and a recommended regression-derived equation(2,SRC). This BCF value suggests that dibenzo(a,l)pyrene will bioconcentrate in aquatic organisms(2,SRC).

12.4 Mobility in soil

Based on an experimental log Kow of 7.71(1), the Koc of dibenzo(a,l)pyrene is estimated as approximately 370,000 using a regression-derived equation(2,SRC). According to a suggested classification scheme(3), this estimated Koc value suggests that dibenzo(a,l)pyrene is immobile in soil(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1(b) IMDG: 6.1(b) IATA: 6.1(b)

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
dibenzo[a,l]pyrene dibenzo[a,l]pyrene 191-30-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 19, 2017
Revision Date Aug 19, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Spectrum

NMR Spectrum 1H NMR : Predict
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Analysis Methods

Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
3423.
Temperature Control
270.
Method
isothermal
Comments
N2; Column length: 50. m; Column diameter: 0.50 mm
Reference
Grimmer, G.Böhnke, H.Bestimmung des Gesamtgehaltes aller polycyclischen aromatischen Kohlenwasserstoffe in Luftstaub und Kraftfahrzeugabgas mit der Capillar-Gas-ChromatographieZ. Anal. Chem.1972, 261, 4-5, 310-314.
Lee's RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
553.
Temperature Control
Method
temperature ramp
Comments
60. m/0.25 mm/0.25 μm, He, 3. K/min; T<sub>start</sub>: 35. C; T<sub>end</sub>: 300. C
Reference
Marynowski, L.Pieta, M.Janeczek, J.Composition and source of polycyclic aromatic compounds in deposited dust from selected sites around the Upper Silesia, PolandGeol. Q.2004, 48, 2, 169-180.
Lee's RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5MS
Retention index
541.9
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, 60. C @ 3. min, 5. K/min, 320. C @ 20. min
Reference
Sauvain, J.-J.Duc, T.V.Approaches to identifying and quantifying polycyclic aromatic hydrocarbons of molecular weight 302 in diesel particulatesJ. Sep. Sci.2004, 27, 1-2, 78-88.
Lee's RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5MS
Retention index
540.01
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; T<sub>end</sub>: 310. C
Reference
Chen, P.H.Keeran, W.S.Van Ausdale, W.A.Schindler, D.R.Roberts, D.W.Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samplesTechnical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11.
Lee's RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
5 % Phenyl methyl siloxane
Retention index
538.21
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Allen J.O.Durant J.L.Dookeran N.M.Taghizadeh K.Plummer E.F.Lafleur A.L.Sarofim A.F.Smith K.A.Measurement of C24H14 polycyclic aromatic hydrocarbons associated with a size-segregated urban aerosolEnviron. Sci. Technol.1998, 32, 13, 1928-1932.

Synthesis Route

1.Synthesis Route
2.Synthesis Route
3.Synthesis Route

Toxicity

TUMORIGENIC DATA
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Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Parenteral
Species Observed
Rodent - rat
Dose/Duration
96761 ug/kg
Toxic Effects
Tumorigenic--Carcinogenic by RTECS criteria<br>Skin and Appendages--tumors
Reference
Journal of Cancer Research and Clinical Oncology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.93- 1979- Volume(issue)/page/year: 115,67,1989
TUMORIGENIC DATA
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Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Administration onto the skin
Species Observed
Rodent - mouse
Dose/Duration
890 mg/kg/37W-I
Toxic Effects
Tumorigenic--equivocal tumorigenic agent by RTECS criteria<br>Skin and Appendages--tumors<br>Tumorigenic--tumors at site of application
Reference
Proceedings of the Royal Society of London, Series B: Biological Sciences. (Royal Soc., 6 Carlton House Terrace, London SW1Y 5AG, UK) V.76- 1905- Volume(issue)/page/year: 123,343,1937
TUMORIGENIC DATA
expand collapse
Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Subcutaneous
Species Observed
Rodent - mouse
Dose/Duration
48 mg/kg/4W-I
Toxic Effects
Tumorigenic--equivocal tumorigenic agent by RTECS criteria<br>Tumorigenic--tumors at site of application
Reference
Naturwissenschaften. (Springer-Verlag, Heidelberger Platz 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.1- 1913- Volume(issue)/page/year: 55,43,1968

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