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CAS No.: 13678-68-7
Name: Furfuryl thioacetate
Article Data: 6
Molecular Structure:
Molecular Structure of 13678-68-7 (Furfuryl thioacetate)
Formula: C7H8O2S
Molecular Weight: 156.205
Synonyms: Aceticacid, thio-, S-furfuryl ester (8CI);2-Furanmethanethiol, acetate (8CI);Furfurylthiol acetate;S-(2-Furanylmethyl)thioacetate;
EINECS: 237-173-9
Density: 1.177 g/cm3
Boiling Point: 209.4 °C at 760 mmHg
Flash Point: 92.8 °C
Appearance: yellow clear liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39-24/25
PSA: 55.51000
LogP: 2.05930
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Chemistry

Molecular Structure of Furfuryl thioacetate (CAS NO.13678-68-7):

IUPAC Name: S-(Furan-2-ylmethyl) ethanethioate 
Molecular Formula: C7H8O2S
Molecular Weight: 156.20
EINECS: 237-173-9
FEMA: 3162
XLogP3-AA: 1.3
H-Bond Donor: 0
H-Bond Acceptor: 2 
Index of Refraction: 1.526
Molar Refractivity: 40.76 cm3
Molar Volume: 132.6 cm3
Surface Tension: 39.8 dyne/cm
Density: 1.177 g/cm3
Flash Point: 92.8 °C
Enthalpy of Vaporization: 44.57 kJ/mol
Boiling Point: 209.4 °C at 760 mmHg
Vapour Pressure: 0.203 mmHg at 25 °C
Appearance: dark brown liquid
Canonical SMILES: CC(=O)SCC1=CC=CO1
InChI: InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey: LQOUTUIIYXYBQW-UHFFFAOYSA-N
Product Categories: thioester Flavor; Building Blocks; Furans; Heterocyclic Building Blocks; Alphabetical Listings; E-F; Flavors and Fragrances

Safety Profile

Safety Information of Furfuryl thioacetate (CAS NO.13678-68-7):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

 Furfuryl thioacetate (CAS NO.13678-68-7), its Synonyms are Furfurylthiol acetate ; S-(2-Furanylmethyl) ethanethioate ; S-Furfuryl thioacetate ; Ethanethioic acid, S-(2-furanylmethyl) ester ; Acetic acid, thio-, S-furfuryl ester .