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98-00-0

98-00-0 structural image
Product Name: Furfuryl alcohol
Formula: C5H6O2
Synonyms: 2-(Hydroxymethyl)furan;2-Furylmethanol;Furfuryl alcohol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Furfuryl alcohol appears as a clear colorless liquid. Flash point 167 °F. Boiling point 171 °F. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion and skin contact and moderately toxic by inhalation.
Color/Form Colorless to yellow liquid
Odor Faint burning odor
Taste Bitter
Boiling Point 338 °F at 760 mmHg (NTP, 1992)
Melting Point -24 °F (NTP, 1992)
Flash Point 167 °F (NTP, 1992)
Solubility greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
Density 1.13 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 3.4 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.4 mmHg at 68 °F ; 1 mmHg at 89.2 °F (NTP, 1992)
LogP log Kow= 0.28
Stability/Shelf Life Turns amber due to autoxidation and intermolecular dehydration during storage and turns black in presence of air
Autoignition Temperature 736 °F (USCG, 1999)
Viscosity 4.62 mPa at 25 °C
Heat of Combustion -2548 kJ/mol
Heat of Vaporization 53.6 kJ/mol at 171 °C
Surface Tension 38 nM/m at 25 °C
Polymerization The substance polymerizes under the influence of acids. Reacts violently with strong oxidants or strong acids causing fire and explosion hazard.
Odor Threshold Odor Threshold Low: 8.0 [mmHg] Detection odor threshold from AIHA (mean = 8.0 ppm)
Refractive Index Index of refraction = 1.4869 at 20 °C
Dissociation Constants pKa = 9.55
Kovats Retention Index 819 826.1 830 819 830 832 833 835 827 823 835 835 846 827 844 840 856 857 857 858 830 832 827 827 827 829 834 831.2 827 827 824 830 839 825 821.9 842 823 835 827 827 849 812 827 823 865 830 832 832.4 825 825 826 829 826 827 826 856 887.8
Other Experimental Properties Detectable concentration in atmosphere by odor = 8 ppm
Chemical Classes Other Classes -> Alcohols and Polyols, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H351:Carcinogenicity
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes 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.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 98.10 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 98.036779430 g/mol
Monoisotopic Mass 98.036779430 g/mol
Topological Polar Surface Area 33.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 54
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

Furfuryl alcohol appears as a clear colorless liquid. Flash point 167 °F. Boiling point 171 °F. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion and skin contact and moderately toxic by inhalation.

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