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89-72-5

89-72-5 structural image
Product Name: 2-sec-Butylphenol
Formula: C10H14O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description O-sec-butylphenol is a clear colorless liquid. (NTP, 1992)
Color/Form LIQUID
Boiling Point 439 to 442 °F at 760 mmHg (NTP, 1992)
Melting Point 54 °F (NTP, 1992)
Flash Point 234 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 0.981 at 77 °F (NTP, 1992) - Less dense than water; will float
Vapor Density Relative vapor density (air = 1): 5.2
Vapor Pressure Low (NIOSH, 2023)
LogP log Kow = 3.27
Stability/Shelf Life SLIGHTLY VOLATILE
Refractive Index Index of refraction = 1.5182 @ 21 °C
Kovats Retention Index 1252
Other Experimental Properties Flash pt = 225 °F; a slightly volatile liquid
Chemical Classes Other Classes -> Phenols

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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 150.22 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 150.104465066 g/mol
Monoisotopic Mass 150.104465066 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 111
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

O-sec-butylphenol is a clear colorless liquid. (NTP, 1992)