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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Herbal Extract
Yohimbe, ext. structure
Yohimbe, ext. structure

Yohimbe, ext.

CAS No.:85117-22-2
Molecular Weight:106.165
1. Names and Identifiers
1.1 Name
Yohimbe, ext.
1.2 Synonyms

CORYNANTHE YOHIMBE BARK EXTRACT Corynanthe yohimbe ext. Einecs 285-574-2 exPansinystaliayohimbe Pansinystaliayohimbeextract Yohimbeextract

1.3 CAS No.
85117-22-2
1.4 EINECS(EC#)
285-574-2
1.5 Molecular Formula
C8H10 (isomer)
1.6 Inchi
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
2. Properties
2.1 Melting point
-47.4 deg C
2.1 Boiling point
139.07 deg C
2.1 Color/Form
Clear, colorless liquid
Color: Saybolt units +30 (research, pure & technical grades)
2.2 Water Solubility
Miscible in acetone, alcohol, ether, benzene; soluble in chloroform
In water, 1.61X10+2 mg/L at 25 deg C.
2.3 Spectral Properties
Index of refraction: 1.4973 at 20 deg C/D
Negligible absorption above 290 nm
IR: 3578 (Coblentz Society Spectral Collection)
UV: 317 (Sadtler Research Laboratories Spectral Collection)
1H NMR: 202 (Varian Associates NMR Spectra Catalogue)
C13 NMR: 297 (Johnson and Jankowski, Carbon-13 NMR Spectra, John Wiley and Sons, New York)
Raman 81 (Dollish et al., characteristic Raman Frequencies of organic compounds, John Wiley and Sons, New York)
MASS: 1349 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 326 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
3. Safety and Handling
3.1 Octanol/Water Partition Coefficient
log Kow = 3.20
3.2 Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. All contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
Skin that becomes contaminated with xylene should be promptly washed with soap or mild detergent and water to remove any xylene. Employees who handle liquid or solid xylene should wash their hands thoroughly with soap or mild detergent and water before eating, smoking, or using toilet facilities. /Xylenes/
A major concern in the painting studio is solvents, /including xylene/. ... Precautions include ... use of dilution and local exhaust ventilation, control of storage areas, disposal of solvent soaked rags in covered containers, minimizing skin exposure and the use of respirators and other personal protective equipment. The control of fire hazards is also important, since many of the solvents are highly flammable. /Xylenes/
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard (i.e., for liquids with a flash point
Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. ... /Xylenes/
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors. /Xylenes/
3.3 Cleanup Methods
Stop discharge if possible. Keep people away. Call fire department. Avoid contact with liquid and vapor. Isolate and remove discharged material. Notify local health and pollution control agencies.
1. REMOVE ALL IGNITION SOURCES. 2. VENTILATE AREA OF SPILL OR LEAK. 3. FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ALLOW SUFFICIENT TIME FOR EVAPORATING VAPORS TO COMPLETELY CLEAR HOOD DUCTWORK. BURN PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS. LARGE QUANTITIES CAN BE RECLAIMED OR COLLECTED & ATOMIZED IN SUITABLE COMBUSTION CHAMBER. XYLENE SHOULD NOT BE ALLOWED TO ENTER CONFINED SPACE, SUCH AS SEWER. ... /XYLENES/
For spills on land, absorb remaining xylene with sand or vermiculite and put in metal containers for disposal. Activated carbon may be used on undissolved portion. /Xylenes/
For spills on water, contain and apply a universal gelling agent to solidify trapped mass then remove it. /Xylenes/
Soil: construct barriers to contain spill or divert to impermeable holding area. Remove material with pumps or vacuum equipment. Absorb residual liquid with natural or synthetic sorbents, shovel into containers with covers. /Xylenes/
Water: contain with booms, weirs, or natural barriers. Use (oil) skimming equipment or suction hoses to remove slick, followed by application of sorbents. /Xylenes/
Air: use water spray to control flammable vapor. Control runoff for later treatment and/or disposal. /Xylenes/
Spillage disposal: Shut off all possible sources of ignition. Wear face shield, goggles, laboratory coat, and nitrile rubber gloves. Cover spill with a 1:1:1 mixture by weight of sodium carbonate or calcium carbonate, clay cat litter (bentonite) and sand, then shovel into bucket and transport to fume hood for atmospheric evaporation. Ventilate site of spillage well to evaporate remaining liquid and dispel vapor. /Xylenes/
Environmental considerations - air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment. /Xylenes/
Environmental considerations - water spill: Use natural barriers or oil spill control booms to limit spill travel. Use surface active agent (e.g., detergent, soaps, alcohols), if approved by EPA. Inject "universal" gelling agent to solidify encircled spill and increase effectiveness of booms. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. /Xylenes/
Environmental considerations - land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. Apply "universal" gelling agent to immobilize spill. Apply appropriate foam to diminish vapor and fire hazard. /Xylenes/
3.4 DisposalMethods
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U239 and F003, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste. /Xylenes/
Xylene is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. /Xylenes/
A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids. A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for liquid injection incineration at a temperature range of 650 to 1,600 deg C and a residence time of 0.1 to 2 seconds. /Xylenes/
Recommendable methods: Incineration, use as a boiler fuel, & evaporation.
Xylene is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.
3.5 DOT Emergency Guidelines
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Xylenes/
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Xylenes/
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Xylenes/
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Xylenes/
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Xylenes/
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or regular foam. Large fires: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. 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. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Xylenes/
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces. /Xylenes/
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Xylenes/
3.6 Fire Fighting Procedures
Foam, dry chemical or carbon dioxide. Water may be ineffective. Cool exposed containers with water.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. /Xylenes/
3.7 FirePotential
Dangerous, when exposed to heat or flame
3.8 Formulations/Preparations
Grade: 95% (technical); 99%, 99.9% (research)
Present in high octane gasoline at 12.03 wt%
3.9 Protective Equipment and Clothing
Employees should be provided with and required to use impervious clothing, gloves, face shields (eight-inch minimum) ... to prevent repeated or prolonged skin contact with liquid or solid xylene. Clothing contaminated with xylene should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of xylene from the clothing. If the clothing is to be laundered ... the person performing the operation should be informed of xylene's hazardous properties. /Xylenes/
Breakthrough times /for natural rubber, neoprene, and polyvinyl chloride/ less (usually significantly less) than one hr reported by (normally) two or more testers. /Xylenes/
Breakthrough times /for polyvinyl alcohol/ greater than one hr reported by (normally) two or more testers. Some data suggesting breakthrough times /for nitrile rubber/ of approx an hour or more. /Xylenes/
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Respirator Recommendations: Up to 900 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 10 Any chemical cartridge respirator with organic vapor cartridge(s). Substance reported to cause eye irritation or damage; may require eye protection. APF = 25 Any powered, air-purifying respirator with organic vapor cartridge(s). Substance reported to cause eye irritation or damage; may require eye protection. APF = 10 Any supplied-air respirator. Substance reported to cause eye irritation or damage; may require eye protection. APF = 50 Any self-contained breathing apparatus with a full facepiece.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 10,000 Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. APF = 10,000 Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister/Any appropriate escape-type, self-contained breathing apparatus.
Personnel protection: ... Wear appropriate chemical protective clothing. Wear positive pressure self-contained breathing apparatus.
3.10 Reactivities and Incompatibilities
An attempt to chlorinate xylene with 1,3-dichloro-5,5-dimethyl-2,4-imidazolidindione (dichlorohydrantoin) caused a violent explosion. The haloimide undergoes immediate self accelerating decomp in the presence of solvents. /Xylenes/
Can react with oxidizing materials.
Strong oxidizers, strong acids.
3.11 Skin, Eye, and Respiratory Irritations
Xylene vapor may cause irritation of the eyes, nose, and throat. At high concentrations, xylene vapor may cause severe breathing difficulties which may be delayed in onset. Repeated or prolonged exposure ... may cause a skin rash. /Xylenes/
Vapor irritates eyes and mucous membranes ... Liquid irritates eyes and mucous membranes. /Xylenes/
4. Computational chemical data
  • Molecular Weight:106.165g/mol
  • Molecular Formula:C8H10
  • XLogP3-AA:3.2
  • Exact Mass:106.07825
  • Monoisotopic Mass:106.07825
  • Complexity:58.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
5. Recommended Suppliers
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