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ChemicalBook--->CAS DataBase List--->76-09-5

76-09-5

76-09-5 Structure

76-09-5 Structure
IdentificationMore
[Name]

Pinacol
[CAS]

76-09-5
[Synonyms]

2,3-DIMETHYL-2,3-BUTANEDIOL
2,3-Dimethylbutane-2,3-diol
PINACOL
PINACONE
TETRAMETHYLETHYLENE GLYCOL
1,1,2,2-tetramethylethyleneglycol
2,3-butanediol,2,3-dimethyl-
2,3-Dihydroxy-2,3-dimethylbutane
2,3-Dimethyl-2,3-dihydroxybutane
2,3-dimethyl-3-butanediol
Dimethyl-4-butyleneglycol
meso-2,3-Dimethyl-2,3-butanediol
PINACOL ANHYDROUS
Pinacol(2,3-Dimethyl-2,3-Butanediol)
2,3-DIMETHYLBUTANEDIOL-2,3
Pinakol
PINACOL pure
2,3-Dimethyl-2,3-butanediol, Tetramethylethylene glycol
2,3-Dimethyl-2,3-butanediol (Pinacol)
[EINECS(EC#)]

200-933-5
[Molecular Formula]

C6H14O2
[MDL Number]

MFCD00004462
[Molecular Weight]

118.17
[MOL File]

76-09-5.mol
Chemical PropertiesBack Directory
[Appearance]

white solid
[Melting point ]

40-43 °C (lit.)
[Boiling point ]

171-172 °C/739 mmHg (lit.)
[density ]

0.967 g/cm3 (20℃)
[refractive index ]

1.4347 (estimate)
[Fp ]

171 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

alcohol: freely soluble
[form ]

Crystalline Low Melting Solid
[pka]

14.80±0.29(Predicted)
[color ]

White
[Odor]

at 100.00 %. woody earthy patchouli warm bread
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, strong acids.
[Odor Type]

woody
[Water Solubility ]

Soluble in hot water, alcohol, and diethyl ether.
[Sensitive ]

Hygroscopic
[Merck ]

14,7439
[BRN ]

1340501
[Dielectric constant]

7.4(24℃)
[InChIKey]

IVDFJHOHABJVEH-UHFFFAOYSA-N
[LogP]

0.540
[CAS DataBase Reference]

76-09-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2,3-Butanediol, 2,3-dimethyl-(76-09-5)
[EPA Substance Registry System]

76-09-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R38:Irritating to the skin.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37:Wear suitable gloves .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

EK1720000
[F ]

3
[TSCA ]

Yes
[HS Code ]

29053990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Mercury chloride
[Preparation Products]

Pinacolone-->3-MORPHOLINOPHENYLBORONIC ACID PINACOL ESTER-->4-(PYRROLIDIN-1-YLMETHYL)BENZENEBORONIC ACID, PINACOL ESTER 97%1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]PYRROLIDINE-->2-(1-BENZOTHIOPHEN-5-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-->2-[3-(2-FURYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-->Bis(pinacolato)diboron-->1-Methyl-1H-pyrazole-5-boronic acid pinacol ester-->4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE-->4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER-->2-(1-FLUORONAPHTHALEN-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-->1-Methyl-4-pyrazole boronic acid pinacol ester-->4-Hydroxyphenylboronic acid pinacol ester-->5-AMINOPYRIDINE-2-BORONIC ACID PINACOL ESTER-->2-(2-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-->Allylboronic acid pinacol ester-->Pinacol vinylboronate-->Pinacolborane-->4-Carboxylphenylboronic acid pinacol ester-->Benzenamine, 3-methyl-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)--->Isopropenylboronic acid pinacol ester-->4-Nitrophenylboronic acid pinacol ester-->2,3-DIMETHYL-1,3-BUTADIENE-->3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3-Dimethyl-2,3-butanediol(76-09-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white solid
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

pinacol be used as organic intermediates.
The pinacol coupling reaction with the inorganic electride [Ca2N](+)·e(−) as an electron donor in organic solvents was studied.
[Definition]

ChEBI: A glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups.
[Preparation]

By the bimolecular reduction of acetone.
[Synthesis Reference(s)]

Chemistry Letters, 10, p. 1469, 1981
Journal of the American Chemical Society, 98, p. 1986, 1976 DOI: 10.1021/ja00423a067
Tetrahedron Letters, 21, p. 449, 1980 DOI: 10.1016/S0040-4039(00)71429-8
[Toxicity evaluation]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975). The acute oral LD50 of pinacol for male albino mice was found to be 28-6 mmol/kg (Wenzel & Koff, 1956). Pinacol showed anticonvulsant activity for electroshock seizures and Metrazol? convulsions; the PD 50 values (a measure of the protective dose) determined 15 min after oral administration of pinacol to mice were found to be 16-4 and 3-44 mmol/kg for electroshock and Metrazol convulsions, respectively (Wenzel & Koff, 1956).
[General Description]

The pinacol coupling reaction with the inorganic electride [Ca2N](+)·e(?) as an electron donor in organic solvents was studied.
[Metabolism]

Pinacol forms a glucuronide in the rabbit (Williams, 1959), and was found highly conjugated with glucuronic acid in the urine of chinchilla rabbits following oral administration of 1.0-1.5 g pinacol/kg body weight (Gessner, Parke & Williams, 1960). Pinacol was not utilized to any significant extent by endocrine tissues from human placenta, rat ovary, rat testis or rat adrenal gland (Ferguson, Baillie, Caiman & Hart, 1966).
[Purification Methods]

The hydrate is rendered anhydrous by azeotropic distillation of water with *benzene. Recrystallise it from *benzene or toluene/pet ether, absolute EtOH or dry diethyl ether. It recrystallises from water to give the hexahydrate. [Beilstein 1 IV 2575.]
Spectrum DetailBack Directory
[Spectrum Detail]

Pinacol(76-09-5)MS
Pinacol(76-09-5)1HNMR
Pinacol(76-09-5)13CNMR
Pinacol(76-09-5)IR1
Pinacol(76-09-5)IR2
Pinacol(76-09-5)IR3
Pinacol(76-09-5)IR
Pinacol(76-09-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pinacol, 99%(76-09-5)
[Alfa Aesar]

Pinacol, anhydrous, 99%(76-09-5)
[Sigma Aldrich]

76-09-5(sigmaaldrich)
[TCI AMERICA]

Pinacol,>95.0%(GC)(76-09-5)
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