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108-68-9

108-68-9 structural image
Product Name: 3,5-Dimethylphenol
Formula: C8H10O
Synonyms: 5-Hydroxy-m-xylene;sym.-m-Xylenol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3,5-dimethylphenol is a colorless to off-white crystalline solid. Odor threshold 1 ppm. Taste threshold 0.001 mg/L. (NTP, 1992)
Color/Form Needles from water
Boiling Point 427.1 °F at 760 mmHg (NTP, 1992)
Melting Point 147 °F (NTP, 1992)
Flash Point [HSDB] 80 °C
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 0.968 at 68 °F (NTP, 1992) - Less dense than water; will float
Vapor Density Relative vapor density (air = 1): 4.2
Vapor Pressure 1 mmHg at 143.6 °F ; 5 mmHg at 192.6 °F; 10 mmHg at 216.3 °F (NTP, 1992)
LogP log Kow= 2.35
Decomposition When heated to decomp it emits acrid smoke and irritating fumes.
Viscosity 2.42 mN.s.m-2 at 80 °C
Heat of Vaporization 13,767.7 g cal/g mole
Odor Threshold Odor threshold = 4.10E-5 mg/m3 (detection in air)
Refractive Index Index of refraction: 1.5150 @ 70 °C
Dissociation Constants pKa= 10.19 at 25 °C
Kovats Retention Index 1143.4 1143 1146 1139 1139 1179 1163 1124 1147 1141 1143 1144 1145 1163 1139
Other Experimental Properties Sublimes above 219 °C
Chemical Classes Other Classes -> Phenols

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 122.16 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 122.073164938 g/mol
Monoisotopic Mass 122.073164938 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 80.6
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

3,5-dimethylphenol is a colorless to off-white crystalline solid. Odor threshold 1 ppm. Taste threshold 0.001 mg/L. (NTP, 1992)

RELATED SUPPLIERS

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