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