Name | 4'-Hydroxypropiophenone |
Synonyms | VANATONE P-acetone Paroxypropione PARA-PROPIONYLPHENOL PARA-ETHYLKETOPHENOL 4′-Hydroxypropiophen P-Methoxyacetophenone 4-Hydroxypropiophenone P-Hydroxypropiophenone 4'-Hydroxypropiophenone P-Hydroxyl propiophenone 4'-Hydroxy propiophenone PARA Methoxy acetophenone 4''-HYDROXYPROPRIOPHENONE (4-Hydroxyphenyl)-1-propanone 1-(4-hydroxyphenyl)-1-propanon 1-(4-hydroxyphenyl)propan-1-one 1-(4-Hydroxyphenyl)-1-propanone p-Methylbenzoic Acid Methyl Ether |
CAS | 70-70-2 |
EINECS | 200-743-2 |
InChI | InChI=1/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 |
Molecular Formula | C9H10O2 |
Molar Mass | 150.17 |
Density | 1.09 g/cm3 (20℃) |
Melting Point | 36-38°C(lit.) |
Boling Point | 152-154°C26mm Hg(lit.) |
Flash Point | >230°F |
Water Solubility | 0.34 g/l (15 ºC) |
Solubility | methanol: 0.1g/mL, clear |
Vapor Presure | 0.000678mmHg at 25°C |
Appearance | White crystal |
Color | White |
Merck | 14,7044 |
BRN | 907511 |
pKa | 8.87±0.26(Predicted) |
Storage Condition | Store below +30°C. |
Refractive Index | 1.5360 (estimate) |
MDL | MFCD00002361 |
Physical and Chemical Properties | Melting point 148-152°C flash point 180°C water-soluble 0.34g/l (15°C) |
Use | Used as liquid crystal raw materials and intermediates |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S37 - Wear suitable gloves. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 3 |
RTECS | UH1925000 |
TSCA | Yes |
HS Code | 29145000 |
Toxicity | LD50 orally in Rabbit: 11800 mg/kg |
FEMA | 2005 | ACETANISOLE |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
biological activity | Paroxypropione is an artificial, non-steroidal estrogen that is used medically as an anti-gonadotropin. |
Application | used as liquid crystal raw materials and intermediates |
production method | add anhydrous aluminum trichloride to carbon disulfide, stir, add phenyl propionate Dropwise, the reaction takes place immediately and releases hydrogen chloride, the carbon disulfide was refluxed due to the exotherm of the reaction. Upon completion of the dropwise addition, the reaction mixture was heated at reflux for 2H until hydrogen chloride did not escape. In addition to steam carbon disulfide, heating to 140-150 deg C for 3H, and the release of hydrogen chloride. The resulting resin-like substance was cooled, and hydrochloric acid and water were slowly added to decompose the double salt of aluminum. It was placed in a refrigerator overnight, filtered, and the filter cake was recrystallized from methanol to give P-hydroxyphenylacetone in 34-39% yield. |