CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [ICSC] |
|---|---|
| Boiling Point | 280 °C |
| Melting Point | 44-45 °C |
| Flash Point | 113 °C |
| Solubility | Solubility in water: none |
| Density | 0.96 g/cm³ |
| Vapor Density | Relative vapor density (air = 1): 7.1 |
| Vapor Pressure | 0.000098 [mmHg] |
| Decomposition | ...HEAT IS SAID TO DECOMPOSE /OCTYL PHENOLS/...WITH THE RELEASE OF DANGEROUS FUMES OF PHENOL. /OCTYL PHENOLS/ |
| Collision Cross Section | 160.03 Ų [M-H]- |
| Kovats Retention Index | 1809 |
| Other Experimental Properties | CONGEALS AT 72-74 °C; SPECIFIC GRAVITY 0.89 @ 90 °C; BOILING POINT 280-302 °C; HYDROXYL COEFFICIENT 259-275; INSOLUBLE IN HOT AND COLD WATER; LIMITED SOLUBILITY IN ALKALIES; SOL IN 1:1 MIXT METHANOL & 50% AQ POTASSIUM HYDROXIDE; SOL IN ALC, ACETONE, FIXED OILS; WHITE FLAKES /OCTYL PHENOL ISOMERS/ |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.32 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| Exact Mass | 206.167065321 g/mol |
| Monoisotopic Mass | 206.167065321 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 136 |
| 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
4-octylphenol is a member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. It has a role as a surfactant, a xenoestrogen and a metabolite.