57-97-6 structure, C20H16

7,12-dimethyltetraphene

CAS No.

57-97-6

Formula:

C20H16

Basic Info

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.

Formula
C20H16
Molecular Weight
256.341
Exact Mass
256.125
LogP
5.763
PSA
0
Synonyms

7,12-Dimethylbenz[a]anthracene

Benz[a]anthracene, 7,12-dimethyl-

7,12-dimethylbenzo[a]anthracene

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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
Safety Statements
45-53-36/37
WGK Germany
3
Risk Statements
R22
RIDADR
UN 3077 9/PG 3
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 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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Name: 7 12-Dimethylbenz(a)anthracene 99%(uv-vis) Material Safety Data Sheet
Synonym: DMBA; Dimethylbenzanthracen
CAS: 57-97-6
Section 1 - Chemical Product   MSDS Name:7 12-Dimethylbenz(a)anthracene 99%(uv-vis) Material Safety Data Sheet
Synonym:DMBA; Dimethylbenzanthracen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
57-97-6 7,12-dimethylbenz(a)anthracene 99 200-359-5
Hazard Symbols: T
Risk Phrases: 25 33

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic if swallowed. Danger of cumulative effects.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
Harmful if swallowed. The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Inhalation of dust may cause respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Material will burn in a fire. Use water spray to keep fire-exposed containers cool.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Do not ingest or inhale.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 57-97-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Flakes
Color: gray-green to yellow
Odor: acetic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 122.00 - 124.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C20H16
Molecular Weight: 256.34

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 57-97-6: CW3850000 LD50/LC50:
CAS# 57-97-6: Oral, mouse: LD50 = 340 mg/kg; Oral, rat: LD50 = 327 mg/kg.
Carcinogenicity:
7,12-dimethylbenz(a)anthracene - California: carcinogen, initial date 1/1/90 Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
USA RQ: CAS# 57-97-6: 1 lb final RQ; 0.454 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 25 Toxic if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 23 Do not inhale gas/fumes/vapour/spray.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 57-97-6: No information available.
Canada
CAS# 57-97-6 is listed on Canada's DSL List.
CAS# 57-97-6 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 57-97-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Analysis Methods

Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-52
Retention index
2711.
Temperature Control
Method
temperature ramp
Comments
He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; T<sub>end</sub>: 320. C
Reference
Beernaert, H.Gas Chromatographic Analysis of Polyclylic Aromatic HydrocarbonsJ. Chromatogr.1979, 173, 1, 109-118.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-52
Retention index
2713.
Temperature Control
Method
temperature ramp
Comments
N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; T<sub>start</sub>: 100. C; T<sub>end</sub>: 300. C
Reference
Carugno, N.Rossi, S.Evaluation of polynuclear hydrocarbons in cigarette smoke by glass capillary columnsJ. Gas Chromatogr.1967, 5, 2, 103-106.
Lee's RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5MS
Retention index
443.90
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, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5MS
Retention index
443.82
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, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-54
Retention index
444.00
Temperature Control
Method
temperature ramp
Comments
20. m/0.22 mm/0.20 μm, He, 4. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 300. C
Reference
Guillén, M.D.Blanco, J.Bermejo, J.Blanco, C.G.Temperature programmed retention indices of some PAHs on Capillary columns coated with OV-1701 and SE-54J. Hi. Res. Chromatogr.1989, 12, 8, 552-554.

Synthesis Route

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

Related Compound Information