CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [ICSC] |
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Boiling Point | 173 °C |
Melting Point | -9.2 °C (cis-isomer) |
Flash Point | 70 °C c.c. |
Solubility | Solubility in water: poor |
Density | Relative density (water = 1): 0.92 |
Vapor Density | Relative vapor density (air = 1): 3.9 |
Vapor Pressure | 0.29 [mmHg] |
LogP | 1.79 |
Autoignition Temperature | 295 °C |
Kovats Retention Index | 929 941 941 |
Chemical Classes | Solvents -> Alcohols (<C12) |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 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. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 114.19 g/mol |
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XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 114.104465066 g/mol |
Monoisotopic Mass | 114.104465066 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 62.8 |
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-Methylcyclohexanol is a natural product found in Cedronella canariensis with data available.