phenylbutazone

CAS No. 50-33-9

Formula: C19H20N2O2
Basic Info

Phenylbutazone, often referred to as "bute", is a nonsteroidal anti-inflammatory drug (NSAID) for the short-term treatment of pain and fever in animals.
In the United States and United Kingdom, it is no longer approved for human use, as it can cause severe adverse effects such as suppression of white blood cell production and aplastic anemia. This drug was implicated in the 2013 meat adulteration scandal. Positive phenylbutazone tests in horse meat were uncommon in the UK, however.

Formula
C19H20N2O2
Molecular Weight
308.374
Exact Mass
308.152
LogP
3.9178
PSA
40.62
Synonyms

Azolid

pyrazinobutazone

4-Butyl-1,2-diphenylpyrazolidine-3,5-dione

Butoz

Phenylbutazone

Buzon

1,2-diphenyl-4-butyl-3,5-dioxopyrazolidine

A 7514

Azdid

4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione

PBZ

Bute

Kadol

Reudo

Uzone

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Properties
Appearance & Physical State
off-white powder
Density
1.173g/cm3
Boiling Point
424.9ºC at 760mmHg
Melting Point
104-107ºC
Flash Point
174.3ºC
Refractive Index
1.606
Stability
Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
Storage Condition
-20ºC Freezer
Safety Info
RTECS
UQ8225000
Safety Statements
S53-S22-S26-S36/37/39-S45
Risk Statements
R45; R20/21/22; R36/37/38; R42/43
HS Code
2933199090
RIDADR
UN 3249
Hazard Class
6.1(b)
Packing Group
III
Caution Statement
P261; P280; P301 + P310; P305 + P351 + P338
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 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name phenylbutazone

1.2 Other means of identification

Product number -
Other names Kadol

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

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Respiratory sensitization, Category 1

Specific target organ toxicity – single exposure, Category 3

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H332 Harmful if inhaled

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P201 Obtain special instructions before use.

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

Response

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
phenylbutazone phenylbutazone 50-33-9 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 agranulocytosis, nausea, vomiting, epigastric pain, tinnitus, convulsions, coma, sodium retention, edema, aplastic anemia and leukopenia. Other symptoms include leukemia, cyanosis, respiratory depression, agitation, hallucinations, hypertension, reactivation of pre-existing peptic ulcers, ulcerative esophagitis, hepatic necrosis, glomerulonephritis, kidney stones, kidney failure, pericarditis, diffuse interstitial myocarditis with muscle necrosis, blood dyscrasias, hemolytic anemia, pancytopenia, optic neuritis causing blurred vision, toxic amblyopia, detached retina and allergic reactions such as rash, urticaria, arthralgia, Lyell's syndrome, Steven-Johnson syndrome, erythema multiforme and anaphylactic shock. It may cause kidney damage, bone marrow depression, excessive perspiring, stupor, ulceration of the buccal and gastrointestinal mucosa, cardiac toxicity, perivascular granulomata, thrombocytopenic purpura and exfoliative dermatitis. It may also cause fever, hematuria (blood in the urine), peptic ulcer, hypersensitivity reactions, hepatitis, sore throat, lesions in the mouth, dyspepsia, unusual bleeding or bruising, black or tarry stools or other evidence of intestinal ulceration, weight gain, thrombocytopenia, hemorrhagic diathesis, perforation, gastrointestinal bleeding, jaundice, death, abdominal discomfort and distress, indigestion, heartburn, water retention, abdominal distention with flatulence, constipation, diarrhea, gastritis, salivary gland enlargement, stomatitis (sometimes with ulceration), vasculitis, serum sickness, systemic lupus erythematosus, aggravation of temporal arteritis, pruritis, erythema nodosum, nonthrombocytopenic purpura, chloride retention, fluid retention, plasma dilution, congestive heart failure, metabolic acidosis, respiratory alkalosis, proteinuria, ureteral obstruction with uric acid crystals, anuria, nephrotic syndrome, impaired renal function, interstitial nephritis, headache, drowsiness, confusional states, lethargy, tremors, numbness, weakness, hyperglycemia hearing loss, scotomata, retinal hemorrhage, oculomotor palsy, thyroid hyperplasia, goiters associated with hyperthyroidism and hypothyroidism, pancreatitis, hematemesis, restlessness, dizziness, psychosis, hyperpyrexia, electrolyte disturbances, hyperventilation, hypotension, oliguria, cardiac arrest, anemia, leukocytosis and hypoprothrombinemia. Exposure may lead to vertigo, gastric irritation with ulceration, goiter, epidermal necrolysis, impaired hepati function and renal failure. Exposure may also lead to liver damage, degenerative changes in the brain, mental disturbances, difficulty in hearing, thready pulse, anorexia, pharyngeal membrane, enlargement of the liver and spleen, adrenol necrosis and uremia. Eye effects include a variety of eye disturbances, severe keratitis with involvement of the conjunctiva, cornea and tear glands which may result in scarring of the corneas with opacification vascularization and symblepharon, and rarely, diplopia. Granulocytopenia has occurred. Other symptoms may include insomnia, euphoria, nervousness and electrolyte retention. ACUTE/CHRONIC HAZARDS: This compound is harmful if swallowed, inhaled or absorbed through the skin. It may cause irritation. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides.

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

Emergency and supportive measures: Maintain an open airway and assist ventilation if necessary. Administer supplemental oxygen. Treat seizures, and hypotension if the occur. Antacids may be used for mild GI upset. Replace fluid losses with intravenous crystalloid solutions. /Nonsteroidal anti-inflammatory drugs/

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. A water spray may also be used.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however, it is probably 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

Stable if stored at room temperature in closed containers in absence of moisture.

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 off-white powder
Colour Crystals from ethanol
Odour ODORLESS
Melting point/ freezing point 182°C(lit.)
Boiling point or initial boiling point and boiling range 94°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point -14°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH pH of aqueous solution = 8.2
Kinematic viscosity no data available
Solubility >46.3 [ug/mL]
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 6.38X10-7 mm Hg at 25°C (est)
Density and/or relative density 1.173g/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

PHENYLBUTAZONE is incompatible with strong oxidizers, strong acids and strong bases. .

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 toxic fumes of /nitrogen oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 245 mg/kg
  • 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

Inadequate evidence of carcinogenicity in humans. No data are available in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity 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

PURE CULTURE: Microbial conversion of phenylbutazone with the fungus Rhizopus arrhizus Fischer gave 4-hydroxyphenylbutazone in excellent yield(1).

12.3 Bioaccumulative potential

An estimated BCF of 56 was calculated in fish for phenylbutazone(SRC), using a log Kow of 3.16(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC), provided the compound is not metabolized by the organism(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of phenylbutazone can be estimated to be 2,270(SRC). A soil Koc of 15,800 has also been reported for phenylbutazone(2), but it is not clear whether this value is estimated or based on measurement(SRC). According to a classification scheme(2), these Koc values suggest that phenylbutazone is expected to have slight to no mobility in soil.

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 IMDG: 6.1 IATA: 6.1

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
phenylbutazone phenylbutazone 50-33-9 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) 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 11, 2017
Revision Date Aug 11, 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: Phenylbutazone 99+% Material Safety Data Sheet
Synonym: 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione; Butadione; Diphenylbutazone
CAS: 50-33-9
Section 1 - Chemical Product   MSDS Name:Phenylbutazone 99+% Material Safety Data Sheet
Synonym:4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione; Butadione; Diphenylbutazone

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
50-33-9 Phenylbutazone 99.0+ 200-029-0
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. Causes digestive tract irritation. Ingestion may cause fever, blood pressure increase and other unspecified vascular effects.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Damage to kidney tubules or glomeruli may occur.

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. Wash clothing before reuse.
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.
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.
Notes to Physician:
Treat symptomatically and supportively.
Antidote: None reported.

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.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
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# 50-33-9: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: odorless - very slight aromatic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 106 - 108 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: soluable @22.5C
Specific Gravity/Density:
Molecular Formula: C19H20N2O2
Molecular Weight: 308.38

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong acids - strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 50-33-9: UQ8225000 LD50/LC50:
CAS# 50-33-9: Draize test, rabbit, eye: 100 mg Moderate; Oral, mouse: LD50 = 238 mg/kg; Oral, rabbit: LD50 = 781 mg/kg; Oral, rat: LD50 = 245 mg/kg; Oral, rat: LD50 = 375 mg/kg.
Carcinogenicity:
Phenylbutazone - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 50-33-9: 2
Canada
CAS# 50-33-9 is listed on Canada's DSL List.
CAS# 50-33-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50-33-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : nujol mull
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
BP-1
Retention index
2404.
Temperature Control
275.
Method
isothermal
Comments
25. m/0.22 mm/0.25 μm, N2
Reference
Japp, M.Gill, R.Osselton, M.D.Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columnsJ. Forensic Sci.1987, 32, 6, 1574-1586.
Kovats' RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
2368.
Temperature Control
Method
temperature ramp
Comments
25. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min
Reference
Schepers, P.Wijsbeek, J.Franke, J.P.de Zeeuw, R.A.Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indicesJ. Forensic Sci.1982, 27, 1, 49-60.
Kovats' RI, non-polar column, custom temperature program
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Column Shape
Packed
Active Phase(℃)
OV-101
Retention index
2350.
Temperature Control
Method
custom temperature program
Comments
N2, Chromosorb W; Column length: 2. m; Program: not specified
Reference
McLinden, V.J.Stenhouse, A.M.A chromatography system for drug identificationForensic Sci. Int.1979, 13, 71-79.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
VF-5MS
Retention index
2443.6
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He; T<sub>start</sub>: 60. C; T<sub>end</sub>: 270. C
Reference
Tretyakov, K.V.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2014.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
2344.
Temperature Control
Method
temperature ramp
Comments
15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; T<sub>start</sub>: 120. C
Reference
Perrigo, B.J.Peel, H.W.Ballantyne, D.J.Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology.J. Chromatogr.1985, 341, 81-88.
Synthesis Route
1.Synthesis Route
2.Synthesis Route
3.Synthesis Route
Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration into the eye
Species Observed
Rodent - rabbit
Dose/Duration
100 mg
Toxic Effects
--
Reference
Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,17,1976
ACUTE TOXICITY DATA
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Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Oral
Species Observed
Human - woman
Dose/Duration
168 mg/kg/4W-I
Toxic Effects
Vascular--other changes<br>Kidney, Ureter, Bladder--changes primarily in glomeruli
Reference
Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 145,685,1985
ACUTE TOXICITY DATA
expand collapse
Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Oral
Species Observed
Human - man
Dose/Duration
17500 ug/kg/3W-I
Toxic Effects
Kidney, Ureter, Bladder--changes in tubules (including acute renal failure, acute tubular necrosis)<br>Kidney, Ureter, Bladder--urine volume decreased
Reference
Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 41,1075,1954

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