2078-54-8
Product Name:
Propofol
Formula:
C12H18O
Synonyms:
2,6-Bis(1-methylethyl)phenol;2,6-Bis(isopropyl)phenol;2,6-Diisopropylphenol;Propofol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Light-straw-colored liquid |
| Boiling Point | 256 °C |
| Melting Point | 18 °C |
| Solubility | 124 mg/L |
| Density | 0.955 g/cu cm @ 20 °C |
| LogP | 3.79 |
| Stability/Shelf Life | Propofol is subject to oxidative degradation when exposed to oxygen. Intact containers are packaged using nitrogen to avoid oxygen exposure. if propofol is administered directly from the vial, administration should be completed within 12 hours after the vial is spiked. ... If Propofol emulsion is transferred to a syringe or other container prior to use, administration should be begun promptly and completed within six hours after the container is opened. After six hours, the product should be discarded and the lines should be flushed or discarded. |
| Refractive Index | Index of refraction (sodium light): 1.5134 @ 20 °C; 1.5111 @ 25 °C. |
| Dissociation Constants | 11.1 (at 20 °C) |
| Kovats Retention Index | 1334.6 1346 1335 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 178.27 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 178.135765193 g/mol |
| Monoisotopic Mass | 178.135765193 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 135 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Propofol is a phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. It has a role as an intravenous anaesthetic, a sedative, a radical scavenger, an antiemetic and an anticonvulsant.