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1438-91-1

1438-91-1 structural image
Product Name: Furfuryl methyl sulfide
Formula: C6H8OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless to pale brown liquid; cooked onion-garlic-radish-mustard notes in dilution, strong sulfuraceous, coffee-like
Boiling Point 64.00 to 65.00 °C. @ 15.00 mm Hg
Solubility slightly
Density 1.082-1.089 (20°)
Refractive Index 1.518-1.530
Kovats Retention Index 975 981 976 990 970 972 978 988 990 992 975 980 972 982 986

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
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.

COMPUTED DESCRIPTORS

Molecular Weight 128.19 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 128.02958605 g/mol
Monoisotopic Mass 128.02958605 g/mol
Topological Polar Surface Area 38.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 65.5
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