Basic information
- Name:
Thioacetic acid
- CAS No.:
507-09-5
- Molecular Structure:
- Formula:
- C2H4OS
- Molecular Weight:
- 76.11
- Deleted CAS:
- 196320-91-9
- Synonyms:
- Aceticacid, thio- (7CI,8CI);Acetyl mercaptan;Ethanethiolic acid;Methanecarbothiolic acid;Monothioacetic acid;Thiacetic acid;Ethanethioic acid;
- EINECS:
- 208-063-8
- Density:
- 1.046 g/cm3
- Melting Point:
- -17 °C
- Boiling Point:
- 93 °C at 760 mmHg
- Flash Point:
- 11.1 °C
- Solubility:
- 27 g/L (15 °C) (hydrolyse) in water
- Appearance:
- clear,yellow liquid with a strong, unpleasant odor
- Hazard Symbols:
F,
C- Risk Codes:
- 11-34-22
- Safety Description:
- 9-16-26-36/37/39-45 Details
- Transport Information:
- UN 2436 3/PG 2
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Chemistry
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IUPAC Name: Ethanethioic S-acid
Canonical SMILES: CC(=O)S
InChI: InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
InChIKey: DUYAAUVXQSMXQP-UHFFFAOYSA-N
Molecular Weight: 76.11756 [g/mol]
Molecular Formula: C2H4OS
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 208-063-8
storage temp.: Refrigerator
Water Solubility: 27 g/L (15 °C) (hydrolyse)
Stability: Stable. Flammable. Incompatible with metals, strong oxidizing agents.
Index of Refraction: 1.442
Molar Refractivity: 19.24 cm3
Molar Volume: 72.7 cm3
Surface Tension: 28.9 dyne/cm
Density: 1.046 g/cm3
Flash Point: 11.1 °C
Enthalpy of Vaporization: 33.28 kJ/mol
Boiling Point: 93 °C at 760 mmHg
Vapour Pressure: 50.4 mmHg at 25 °C
Appearance: clear,yellow liquid with a strong, unpleasant odor
Melting Point of Thioacetic acid (CAS NO.507-09-5): -17 °C
Uses
Thioacetic acid (CAS NO.507-09-5) is used in organic chemistry for the introduction of thiol groups in molecules. In one application, it is used with AIBN in a free radical mediated nucleophilic addition to an exocyclic alkene forming a thioester.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | National Technical Information Service. Vol. AD691-490, |
Safety Profile
Hazard Codes: 
F,
C
Risk Statements: 11-34-22
R11:Highly flammable.
R34:Causes burns.
R22:Harmful if swallowed.
Safety Statements: 9-16-26-36/37/39-45
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
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.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2436 3/PG 2
WGK Germany: 3
F: 13-19
HazardClass: 3
PackingGroup: II
RTECS: AJ5600000
Specification
Thioacetic acid (CAS NO.507-09-5), its Synonyms are Ethanethioic acid ; Ethanethiolic acid ; Kyselina thiooctova ; Thionoacetic acid ; Thionoacetic acid ; Acetic acid, thio- ; Schiff's reagent .