Trimethylolethane tribenzoate
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Trimethylolethane tribenzoate
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CAS No:
4196-87-6
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Formula:
C26H24O6
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Chemical Name:
Trimethylolethane tribenzoate
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Synonyms:
1,3-Propanediol,2-[(benzoyloxy)methyl]-2-methyl-,1,3-dibenzoate;1,3-Propanediol,2-(hydroxymethyl)-2-methyl-,tribenzoate;1,3-Propanediol,2-[(benzoyloxy)methyl]-2-methyl-,dibenzoate;Trimethylolethane tribenzoate;Trimethylolethyl tribenzoate;NSC 166505;2-[(Benzoyloxy)methyl]-2-methylpropane-1,3-diyl dibenzoate
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CAS No:
Description
PHYSICAL DESCRIPTION: Cream colored powder with yellow chunks. (NTP, 1992)
2-((benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol is a cream colored powder with yellow chunks. (NTP, 1992)
2-((benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol is a cream colored powder with yellow chunks. (NTP, 1992)
Trimethylolethane tribenzoate Basic Attributes
432.46516
432.47
224-080-3
177275099B
166505
DTXSID1024590
2916399090
Characteristics
78.90000
7.37
2-((benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol is a cream colored powder with yellow chunks. (NTP, 1992)
1.2±0.1 g/cm3
570.9±45.0 °C at 760 mmHg
245.3±28.8 °C
1.580
less than 1 mg/mL at 68° F (NTP, 1992)
Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
An ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Safety Information
Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Trimethylolethane tribenzoate Use and Manufacturing
1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-methyl-, 1,3-dibenzoate: INACTIVE
Computed Properties
Molecular Weight:432.5
XLogP3:5.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:432.15728848
Monoisotopic Mass:432.15728848
Topological Polar Surface Area:78.9
Heavy Atom Count:32
Complexity:528
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Trimethylolethane
77-85-0
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CELLULOSE TRIBENZOATE Formula
37361-36-7
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Glyceryl tribenzoate Formula
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Dodecanoic acid, mixed esters with decanoic acid, octanoic acid and trimethylolethane Formula
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Trimethylolethane trinitrate Structure
3032-55-1
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Bismuth tribenzoate Structure
29909-60-2