PINACOLONE

PRODUCT IDENTIFICATION
CAS NO. 75-97-8

PINACOLINE
EINECS NO. 200-920-4
FORMULA (CH3)3CCOCH3
MOL WT. 100.16

H.S. CODE

 2914.19

TOXICITY

 Oral rabbit LD50: 900 mg/kg
SYNONYMS Pinacoline; 1,1,1-Trimethylacetone;
3,3-Dimethyl-2-butanone; methyltert-butyl ketone; tert-Butyl methyl ketone;
SMILES

 

CLASSIFICATION

  

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE clear liquid
MELTING POINT -53 C
BOILING POINT 105 - 106 C
SPECIFIC GRAVITY 0.803
SOLUBILITY IN WATER Slightly soluble (19 g/l)
pH  
VAPOR DENSITY

 

REFRACTIVE INDEX

  
AUTOIGNITION

 
NFPA RATINGS Health: 1; Flammability: 4; Instability: 0
FLASH POINT

5 C
STABILITY

Stable under ordinary conditions

GENERAL DESCRIPTION & APPLICATIONS
Pinacol is a vicinal glycol with general formula RR'C(OH)C(OH)R"R'", where two adjacent carbon atoms have -OH groups each. The simplest one is tetramethylethylene glycol, (CH3)2C(OH)C(OH)(CH3)2, when R is methyl group. Tetramethylethylene glycol is called pinacol itself also. [Pinacolyl alcohol (CAS RN: 76-09-5) is not a pinacol but tert-butyl methyl carbinol which has one -OH]. Tetramethylethylene glycol is a white solid soluble in hot water, ethanol and ether, insoluble in cold water; melting point 40 C; boiling point 171 C; specific gravity 0.967 (at 15 C). Pinacol can be prepared by coupling reaction between the carbonyl groups with a magnesium-mercury amalgam. Acetone is converted to tetramethylethylene glycol. The pinacol rearrangement is the reaction of converting a vicinal diol to a ketone (pinacol to pinacolone), migrating an atom or bond in a reactant molecule to a different site in a reaction molecule. Pinacolone is the characteric structue molecule, tert-butyl methylketone. It is used as an intermediate for biologically active products such as antiviral, antibacterial, antifungal and antituberculous.
 

Examples of pinacolyl molecules

  • 1,1-Dibromopinacolone (CAS RN: 30263-65-1)
  • 1-Bromopinacolone (CAS RN: 5469-26-1)
  • 1-Monochloropinacoline (CAS RN: 13547-70-1
  • 2,2,2-Triphenylacetophenone (CAS RN: 466-37-5)
  • 2,5-Dimethyl-3-hexyne-2,5-diol (CAS RN: 142-30-3)
  • 3,4-Diethyl-3,4-hexanediol (CAS RN: 6931-71-1)
  • 5-((2,2-Dimethylpropionyl)methyl)-5-ethylbarbituric acid (CAS RN: 69766-59-2)
  • 5-((2,2-Dimethylpropionyl)methyl)-5-isopentylbarbituric acid (CAS RN: 69766-29-6)
  • 5-Allyl-5-((2,2-dimethylpropionyl)methyl)barbituric acid (CAS RN: 69766-33-2)
  • Benzopinacol (CAS RN: 464-72-2)
  • Bis(pinacolato)diboron (CAS RN: 73183-34-3)
  • Boroval (CAS RN: 94242-92-9)
  • Chlorosoman (CAS RN: 7040-57-5)
  • Dichloropinacolin (CAS RN: 22591-21-5)
  • Diethylstilbestrol pinacolone (CAS RN: 18922-13-9)
  • Dipinacoline glutamate (CAS RN: 123729-01-1)
  • O-p-Aminophenyl O'-pinacolyl methylphosphonate (CAS RN: 52134-57-3)
  • Perfluoropinacol (CAS RN: 918-21-8)
  • Pinacol (CAS RN: 76-09-5)
  • Pinacol monoformate (CAS RN: 65184-58-9)
  • Pinacolone (CAS RN: 75-97-8)
  • Pinacolyl dimethylphosphinate (CAS RN: 92411-69-3)
  • Pinacolyl S-(2-dimethylaminoethyl)methylphosphonothioate (CAS RN: 34388-36-8)
  • Pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate (CAS RN: 38770-03-5)
  • Pinacolyl methylphosphonic acid (CAS RN: 616-52-4)
  • Poly(dimethyldichlorosilane, benzpinacol) (CAS RN: 70624-20-3)
  • Rhodanpinacolin (CAS RN: 26094-11-1)
  • Soman (CAS RN: 96-64-0)
SALES SPECIFICATION

APPEARANCE

 clear liquid

CONTENT

 98.0% min

WATER

1.0% max
TRANSPORTATION
PACKING

160kgs in drum
HAZARD CLASS 3 (Packing Group: II)
UN NO. 1993
OTHER INFORMATION
Hazard Symbols: XN F,  Risk Phrases: 11-22, Safety Phrases: 9-16-20/21