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CAS No.: | 55764-25-5 |
---|---|
Name: | 2-Methylfuran-3-thiol acetate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H8O2S |
Molecular Weight: | 156.205 |
Synonyms: | 3-(Acetylthio)-2-methylfuran;3-Acetylthio-2-methylfuran; |
EINECS: | 259-801-0 |
Density: | 1.18 g/cm3 |
Boiling Point: | 208.7 °C at 760 mmHg |
Flash Point: | 80 °C |
Solubility: | Insoluble in water,slightly soluble in heptane, soluble in tri-acetin |
Appearance: | clear colorless to light brown liquid |
Hazard Symbols: | XiXn |
Risk Codes: | 36/38-41-37/38-22 |
Safety: | 37/39-26-39 |
Transport Information: | UN 3272 |
PSA: | 55.51000 |
LogP: | 2.22660 |
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Molecular Structure of Ethanethioic acid,S-(2-methyl-3-furanyl) ester (CAS NO.55764-25-5):
IUPAC Name: S-(2-Methylfuran-3-yl) ethanethioate
Molecular Formula: C7H8O2S
Molecular Weight: 156.20
EINECS: 259-801-0
FEMA: 3973
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 2
storage temp.: 0-6 °C
Index of Refraction: 1.536
Molar Refractivity: 41.24 cm3
Molar Volume: 132.2 cm3
Surface Tension: 41.1 dyne/cm
Density: 1.18 g/cm3
Flash Point: 80 °C
Enthalpy of Vaporization: 44.49 kJ/mol
Boiling Point: 208.7 °C at 760 mmHg
Vapour Pressure: 0.211 mmHg at 25 °C
Water Solubility: insoluble
Appearance: clear colorless to light brown liquid
Product Categories: thioester Flavor; Furan flavors
Canonical SMILES: CC1=C(C=CO1)SC(=O)C
InChI: InChI=1S/C7H8O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H,1-2H3
InChIKey: PQFIBPDAGFGLBY-UHFFFAOYSA-N
Safety Information of Ethanethioic acid,S-(2-methyl-3-furanyl) ester (CAS NO.55764-25-5):
Hazard Codes: Xi,Xn
Risk Statements: 36/38-41-37/38-22
R36/38:Irritating to eyes and skin.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R22:Harmful if swallowed.
Safety Statements: 37/39-26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S39:Wear eye / face protection.
RIDADR: UN 3272 3/PG 3
Ethanethioic acid,S-(2-methyl-3-furanyl) ester (CAS NO.55764-25-5), its Synonyms are S-(2-Methyl-3-furyl) ethanethioate ; 3-(Acetylthio)-2-methylfuran ; 2-Methyl-3-furanethiolacetate .