57-97-6 structure, C20H16
7,12-dimethyltetraphene
CAS No.: 57-97-6 Formula: C20H16 Molecular Weight: 256.34100
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7,12-dimethyltetraphene

CAS No.:

57-97-6

Formula:

C20H16

Molecular Weight: 256.34100
Suppliers: All (90) China Suppliers (40) Price Available (20) Contractor (1)

Description

7,12-Dimethylbenz[a]anthracene (DMBA) is an immunosuppressor and a powerful organ-specific laboratory carcinogen. DMBA is widely used in many research laboratories studying cancer. DMBA serves as a tumor initiator. Tumor promotion can be induced with treatments of 12-O-tetradecanoylphorbol-13-acetate (TPA) in some models of two-stage carcinogenesis. This allows for a greatly accelerated rate of tumor growth, making many cancer studies possible.

Basic Info

Chemical Name

7,12-dimethyltetraphene

Synonyms

7,12-Dimethylbenz[a]anthracene; Benz[a]anthracene, 7,12-dimethyl-; 7,12-dimethylbenzo[a]anthracene;

CAS No.

57-97-6

Molecular Formula

C20H16

Molecular Weight

256.34100

PSA

0.00000

LogP

5.76300

Numbering system

EINECS number 200-359-5
MDL number MFCD00003600

Properties

Appearance & Physical State

Yellow powder

Density

0.9 g/mL at 25ºC(lit.)

Boiling Point

183-184ºC765 mm Hg(lit.)

Melting Point

122-123ºC(lit.)

Flash Point

130 °F

Refractive Index

n20/D 1.501(lit.)

Storage Condition

2-8ºC

Safety Info

RTECS

DP4500000

Hazard Class

6.1(b)

Safety Statements

45-53-36/37

Packing Group

III

WGK Germany

3

RIDADR

UN 3077 9/PG 3

Risk Statements

R22

Hazard Codes

C

SDS 1.0

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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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 7,12-dimethyltetraphene

1.2 Other means of identification

Product number -
Other names 7,12-dimethylbenzo[a]anthracene

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

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

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

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

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
7,12-dimethyltetraphene 7,12-dimethyltetraphene 57-97-6 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

SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes and gastrointestinal tract. It may also cause acetonemia. ACUTE/CHRONIC HAZARDS: This compound is harmful by ingestion, inhalation or skin absorption. It is an irritant of the skin, eyes and gastrointestinal tract. When heated to decomposition it emits acrid smoke, irritating fumes and toxic fumes of carbon monoxide and carbon dioxide.

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

Absorption, Distribution and Excretion

AFTER IV INJECTION INTO RATS, 7,12-DIMETHYLBENZ(A)ANTHRACENE WAS TAKEN UP RAPIDLY BY THE LIVER, BOUND TO PARTICULAR FRACTIONS, & SUBSEQUENTLY TRANSFORMED INTO POLAR METAB, WHICH HAVE LESS AFFINITY FOR PARTICULATE FRACTIONS THAN THE PARENT HYDROCARBON, & WHICH WERE RECOVERED FROM CELLULAR CYTOSOL. AFTER TRANSFER TO CYTOSOL, METABOLITES WERE SECRETED INTO BILE.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher.

5.2 Specific hazards arising from the chemical

This chemical is combustible.

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

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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

SUBSTANCES IN THIS HIGH-CHRONIC-TOXICITY CATEGORY INCL HEAVY METAL COMPD & COMPD ... CLASSIFIED AS STRONG CARCINOGENS. EXAMPLES OF COMPD ... CONSIDERED TO BE STRONG CARCINOGENS INCL ... 7,12-DIMETHYLBENZ(A)ANTHRACENE ... ALL CONTAINERS ... IN THIS CATEGORY SHOULD HAVE LABELS THAT IDENTIFY THE CONTENTS & INCL WARNING ... STORAGE AREAS FOR SUBSTANCES IN THIS CATEGORY SHOULD HAVE LIMITED ACCESS, & SPECIAL SIGNS SHOULD BE POSTED IF A SPECIAL TOXICITY HAZARD EXISTS. ANY AREA USED FOR STORAGE ... MAINTAINED UNDER NEGATIVE PRESSURE WITH RESPECT TO SURROUNDING AREAS.

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 Yellow powder
Colour PLATES, LEAFLETS FROM ACETONE & ALC, FAINT GREENISH-YELLOW TINGE
Odour no data available
Melting point/ freezing point 217°C(lit.)
Boiling point or initial boiling point and boiling range 191°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 58°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 17.78°C
Partition coefficient n-octanol/water (log value) Log Kow = 5.80
Vapour pressure no data available
Density and/or relative density 0.9 g/mL at 25ºC(lit.)
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

7,12-DIMETHYLBENZ[A]ANTHRACENE is incompatible with strong oxidizing agents .

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 available

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

Carbon-14 labeled 7,12-dimethylbenz(a)anthracene was introduced into a large marine microcosm typical of shallow marine waters. Within 12 hours after the addition, 20 percent of the degradation products was transferred to the sediments. The rate of Carbon-14 labeled carbon dioxide production resulting from the metabolism of degradation products was initially 0.63 percent per day, then dropped to 0.13 percent per day after 40 days. After 62 days in an enclosed marine ecosystem, 12 percent of the 7,12-dimethylbenz(a)anthracene had been respired to carbon dioxide, and about 18 percent could be extracted from sediments(1). In another study, 7,12-dimethylbenz(a)anthracene was not degraded in 6 days in a standard BOD test using an activated sludge inoculum(2).

12.3 Bioaccumulative potential

An estimated BCF of 7,100 was calculated for 7,12-dimethylbenz(a)anthracene(SRC), using an experimental log Kow of 5.80(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms would be very high(SRC). Dimethylbenz(a)anthracene, having a maximum exposure concentration of 0.0006 ppm, was determined to bioconcentrate in the marine species Macoma inquinata at a level of 0.86 ppm after 7 days. This yielded a bioconcentration factor of 1,349(4). Dimethylbenzanthracene bioaccumlation in the presence of 0.2 mg/l humic acid was determined to be 64.2 nmol/g dry wt Daphnia after 6 hours, having a BCF of 968. Dimethylbenzanthracene bioaccumlation in the presence of 2.0 mg/l humic acid was determined to be 55.8 nmol/g dry wt Daphnia after 6 hours, having a BCF of 666(5). This demonstrated that the presence of humic acid did not significantly change the bioavailability of 7,12-dimethylbenz(a)anthracene to Daphnia(5). When deposit feeding clams, Macoma inquinata, were exposed to detritus contaminated with Prudoe Bay Crude Oil, to which an unspecified isomer of dimethylbenzanthracene had been added for 7 days, the log bioconcentration factor from seawater was 3.13. The chemical associated with sediment was not available for uptake(6).

12.4 Mobility in soil

7,12-Dimethylbenz(a)anthracene adsorbs very strongly to soils and sediment. The mean Koc value for its adsorption to 13 soils and sediments from the central U.S. was 235,700(1). According to a recommended classification scheme(3), this Koc value suggests that 7,12-dimethylbenz(a)anthracene would be immobile in soil(SRC). While adsorption was strongly correlated to organic carbon content, it was independent of other soil or sediment properties such as pH, cation exchange capacity, clay content or mineralogy(1). Another investigator found that 20-40% of 7,12-dimethylbenz(a)anthracene was sorbed in water and wastewater samples(2).

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: UN1993 IMDG: UN1993 IATA: UN1993

14.2 UN Proper Shipping Name

ADR/RID: FLAMMABLE LIQUID, N.O.S.
IMDG: FLAMMABLE LIQUID, N.O.S.
IATA: FLAMMABLE LIQUID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

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
7,12-dimethyltetraphene 7,12-dimethyltetraphene 57-97-6 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory 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 12, 2017
Revision Date Aug 12, 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.

MSDS

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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57-97-6 NMR spectrum
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GC Analysis

Total 9 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Capillary SE-52 - 2711. temperature ramp
Capillary SE-52 - 2713. temperature ramp
Capillary DB-5MS - 443.90 temperature ramp
Capillary DB-5MS - 443.82 temperature ramp
Capillary SE-54 - 444.00 temperature ramp
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