3-(2-Methyl-3-furylthio)-4-heptanone supplier

Name
3-(2-Methyl-3-furylthio)-4-heptanone
EINECS 262-690-1
CAS No. 61295-41-8
Density 1.05g/cm³
Solubility
Melting Point
Formula C12H18 O2 S
Boiling Point 293.3°Cat760mmHg
Molecular Weight 226.3351
Flash Point 131.2°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-((2-Methyl-3-furyl)-thio)-4-heptanone
PSA 55.51000
LogP 3.82790

3-(2-Methyl-3-furylthio)-4-heptanone Chemical Properties

Molecular Structure of 3-(2-Methyl-3-furylthio)-4-heptanone (CAS No.61295-41-8):

Molecular Formula: C₁₂H₁₈O₂S
Molecular Weight: 226.3351
CAS No: 61295-41-8
IUPAC Name: 3-(2-methylfuran-3-yl)sulfanylheptan-4-one
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 55.51 Å²
Index of Refraction: 1.51
Molar Refractivity: 64.37 cm³
Molar Volume: 215 cm³
Surface Tension: 37.7 dyne/cm
Density: 1.05 g/cm³
Flash Point: 131.2 °C
Enthalpy of Vaporization: 53.28 kJ/mol
Boiling Point: 293.3 °C at 760 mmHg
Vapour Pressure: 0.00174 mmHg at 25°C
InChI: InChI=1/C₁₂H₁₈O₂S /c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3
InChIKey: GFRRQSASJZMMJC-UHFFFAOYAR
Std. InChI: InChI=1S/C₁₂H₁₈O₂S /c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3
Std. InChIKey: GFRRQSASJZMMJC-UHFFFAOYSA-N
Product Categories: Sulfide flavor

3-(2-Methyl-3-furylthio)-4-heptanone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	425mg/kg (425mg/kg)		Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

3-(2-Methyl-3-furylthio)-4-heptanone Specification

3-(2-Methyl-3-furylthio)-4-heptanone (CAS No.61295-41-8), its synonyms are 3-((2-Methyl-3-furyl)thio)-4-heptanone ; 3-((2-Methyl-3-furyl)thio)heptan-4-one ; 3-(2-Methyl-3-furylthio)-4-heptanone ; 3-(2-Methyl-furan-3-ylsulfanyl)heptan-4-one, 97% ; 3-[(2-methyl-3-furyl)thio]heptan-4-one ; 4-Heptanone, 3-((2-methyl-3-furanyl)thio)-

Product Name

3-(2-Methyl-3-furylthio)-4-heptanone

3-(2-Methyl-3-furylthio)-4-heptanone Chemical Properties

3-(2-Methyl-3-furylthio)-4-heptanone Toxicity Data With Reference

3-(2-Methyl-3-furylthio)-4-heptanone Specification

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