PINACOL pure
Pinacol
CAS: 76-09-5
Molecular Formula: C6H14O2
PINACOL pure - Names and Identifiers
| Name | Pinacol |
| Synonyms | Pinakol Pinacol PINACOL PINACONE Pinacone PINACOL pure TETRAMETHYLETHYLENE GLYCOL 2,3-DIMETHYLBUTANEDIOL-2,3 2,3-Dimethylbutane-2,3-diol 2,3-Dimethyl-2,3-butanediol 2,3-DIMETHYL-2,3-BUTANEDIOL |
| CAS | 76-09-5 |
| EINECS | 200-933-5 |
| InChI | InChI=1/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3 |
| InChIKey | IVDFJHOHABJVEH-UHFFFAOYSA-N |
PINACOL pure - Physico-chemical Properties
| Molecular Formula | C6H14O2 |
| Molar Mass | 118.17 |
| Density | 0.967 g/cm3 (20℃) |
| Melting Point | 40-43 °C (lit.) |
| Boling Point | 171-172 °C/739 mmHg (lit.) |
| Flash Point | 171°F |
| Water Solubility | Soluble in hot water, alcohol, and diethyl ether. |
| Solubility | Soluble in hot water, alcohol, and diethyl ether. |
| Vapor Presure | 0.375mmHg at 25°C |
| Appearance | White solid |
| Color | White |
| Merck | 14,7439 |
| BRN | 1340501 |
| pKa | 14.80±0.29(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, strong acids. |
| Sensitive | Hygroscopic |
| Refractive Index | 1.4347 (estimate) |
| MDL | MFCD00004462 |
| Physical and Chemical Properties | Containing 6 molecules of crystal water is colorless Flake Crystal, alcohol or ether in the crystallization of colorless needle-like anhydrous. The melting point of 47 deg C, 38 deg C (anhydrous), boiling point of 175 deg C. Soluble in hot water, alcohol and ether, slightly soluble in cold water and carbon disulfide. |
| Use | Used as a pharmaceutical Intermediate |
PINACOL pure - Risk and Safety
| Risk Codes | R38 - Irritating to the skin R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable |
| Safety Description | 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 |
| FLUKA BRAND F CODES | 3 |
| TSCA | Yes |
| HS Code | 29053990 |
PINACOL pure - Reference
| Reference Show more | 1. [IF=2.457] Yongkai Yuan et al."Synthesis of polyunsaturated fatty boronic esters and their in vitro inhibition to HCT116 cell lines."Tetrahedron. 2019 Oct;75:130578 |
PINACOL pure - Introduction
Those containing 6 molecules of crystal water are colorless flake crystals, and those crystallized in alcohol or ether are colorless needle-like anhydrous. Easily soluble in hot water, alcohol and ether, slightly soluble in cold water and carbon disulfide.
Last Update：2022-10-16 17:28:28
PINACOL pure - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | is used in the synthesis of cytanone, dimethyl butadiene, etc. preparation of high molecular polymer cytanol is used as an organic intermediate. Cysterols are used in the synthesis of organic reagents such as alkenylphenylphosphonates and alkenylboronic esters. |
| production method | is obtained by reduction with acetone. The magnesium crumb is put into industrial benzene, heated and refluxed, and a solution made up of acetone and mercuric chloride is slowly added. After reacting for 2H, water is added for 1H for hydrolysis. After completion of the reaction, the reaction mixture was cooled and filtered, benzene was recovered, and water was further added, and the frequent alcohol containing water of crystallization was crystallized out. The crystal was added to industrial benzene for dehydration to form anhydrous frequency alcohol, and the frequency alcohol benzene solution was distilled to recover benzene, and then the distillate at 170-175 ° C. Was fractionated to obtain frequency alcohol. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-mouse LD50: 3380 mg/kg |
| stimulation data | Skin-rabbit 500 mg/24 h moderate |
| flammability hazard characteristics | flammability; Combustion stimulus smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| extinguishing agent | dry powder, foam, sand, water |
Last Update：2024-04-09 21:11:58
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