1843-05-6
Product Name:
Octabenzone
Formula:
C21H26O3
Synonyms:
[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone;2-Benzoyl-5-octyloxyphenol;4-(Octyloxy)-2-hydroxybenzophenone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder; Liquid; NKRA; Other Solid; Pellets or Large Crystals |
|---|---|
| Color/Form | Crystals |
| Boiling Point | >300 °C decomposes |
| Melting Point | 45-46 °C |
| Solubility | In water, <0.001 mg/L at 20 °C, pH 6 /OECD Guideline 105 (Water Solubility)/ |
| Density | 1160 kg/cu m at 20 °C |
| Vapor Pressure | 3.38X10-8 mm Hg at 20 °C (measured by transpiration method) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions. - Carbon oxides |
| Heat of Vaporization | Enthalpy of vaporization: 102.1 kJ/mol |
| Dissociation Constants | pKa = 10.16 at 25 °C (Estimated with SPARC, OH-group) |
| Chemical Classes | Other Uses -> Sunscreens |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 326.4 g/mol |
|---|---|
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 326.18819469 g/mol |
| Monoisotopic Mass | 326.18819469 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 349 |
| 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
Octabenzone is a member of benzophenones.