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Home > Encyclopedia > Pentaerythritol, tetrabenzoate

Pentaerythritol, tetrabenzoate

Pentaerythritol, tetrabenzoate structure

Pentaerythritol, tetrabenzoate 

structure
  • CAS No:

    4196-86-5

  • Formula:

    C33H28O8

  • Chemical Name:

    Pentaerythritol, tetrabenzoate

  • Synonyms:

    1,3-Propanediol,2,2-bis[(benzoyloxy)methyl]-,1,3-dibenzoate;Pentaerythritol,tetrabenzoate;1,3-Propanediol,2,2-bis[(benzoyloxy)methyl]-,dibenzoate;Benzoflex S 552;NSC 166502;Pentaerythrityl tetrabenzoate;[3-Benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate;1579279-32-5

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

cream-coloured powder


2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol is a cream-colored solid. (NTP, 1992)|DryPowder


2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol is a cream-colored solid. (NTP, 1992)

Pentaerythritol, tetrabenzoate Basic Attributes

552.57

552.57

224-079-8

U7L44GIS4O

166502

DTXSID8024608

2916399090

Characteristics

105

6.5

2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol is a cream-colored solid. (NTP, 1992)

1.255g/cm3

94.8 °C

684.3ºC at 760 mmHg

286.2ºC

1.599

less than 1 mg/mL at 66° F (NTP, 1992)

LD50 orl-rat: 10 g/kg NPIRI* 2,83,75

Insoluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

An esterl. 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

NONH for all modes of transport

3

22

RZ2605000

Xn

Stable. Combustible. Incompatible with strong oxidizing agents.

P264, P270, P301+P312, P330, P501

H302

Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 564 companies from 2 notifications to the ECHA C&L Inventory.

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 under ambient temperatures. (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

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and irritating fumes. (NTP, 1992)

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)

Pentaerythritol, tetrabenzoate Use and Manufacturing

Uses

Plasticizers


Plastic and rubber products not covered elsewhere

Production

25,000 - 100,000 lb

Plastics product manufacturing|1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, 1,3-dibenzoate: ACTIVE

Computed Properties

Molecular Weight:552.6
XLogP3:6.5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:552.17841785
Monoisotopic Mass:552.17841785
Topological Polar Surface Area:105
Heavy Atom Count:41
Complexity:704
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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