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| CAS No.: | 55764-23-3 |
|---|---|
| Name: | 2,5-Dimethylfuran-3-thiol |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8OS |
| Molecular Weight: | 128.195 |
| Synonyms: | 2,5-Dimethyl-3-furanthiol;2,5-Dimethyl-3-mercaptofuran;3-Mercapto-2,5-dimethylfuran;2.5-dimethyl-3-furanthiol; |
| EINECS: | 259-800-5 |
| Density: | 1.092 g/cm3 |
| Boiling Point: | 170.9 ºC at 760 mmHg |
| Flash Point: | 57.2 ºC |
| Solubility: | insoluble in water |
| Appearance: | clear amber to orange liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | R10;R23/24/25;R36/37/38 |
| Safety: | S16;S36/37/39;S45 |
| PSA: | 51.94000 |
| LogP: | 2.18510 |
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Chemistry
Molecular Structure of 3-Furanthiol,2,5-dimethyl- (CAS NO.55764-23-3):
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IUPAC Name: 2,5-Dimethylfuran-3-thiol
Molecular Formula: C6H8OS
Molecular Weight: 128.19
EINECS: 259-800-5
FEMA: 3451
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Index of Refraction: 1.532
Molar Refractivity: 36.37 cm3
Molar Volume: 117.3 cm3
Surface Tension: 34.7 dyne/cm
Density: 1.092 g/cm3
Flash Point: 57.2 °C
Enthalpy of Vaporization: 39.06 kJ/mol
Boiling Point: 170.9 °C at 760 mmHg
Vapour Pressure: 1.91 mmHg at 25 °C
storage temp.: Flammables area
Water Solubility: insoluble
Appearance: clear amber to orange liquid
Product Categories: THIOL; thiol Flavor
Canonical SMILES: CC1=CC(=C(O1)C)S
InChI: InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3
InChIKey: DBBHCZMXKBCICL-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 360mg/kg (360mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |
Safety Profile
Safety Information of 3-Furanthiol,2,5-dimethyl- (CAS NO.55764-23-3):
Hazard Codes: 
T
Risk Statements: 36/37/38-23/24/25-10
R36/37/38:Irritating to eyes, respiratory system and skin.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R10:Flammable.
Safety Statements: 45-36/37/39-16
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S16:Keep away from sources of ignition.
RTECS: LU6230000
Specification
3-Furanthiol,2,5-dimethyl- (CAS NO.55764-23-3), its Synonyms are 2,5-Dimethyl-3-furanthiol ; 2,5-Dimethyl-3-furylmercaptan ; 2,5-Dimethyl-3-mercaptofuran ; 3-Mercapto-2,5-dimethylfuran .