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Basic information

  • Name:
  • Propanoic acid,2-mercapto-

  • Superlist Name:
  • 2-Mercaptopropionic acid
  • CAS No.:
  • 79-42-5

  • Formula:
  • C3H6O2S
  • Synonyms:
  • Propionicacid, 2-mercapto- (8CI);Propionic acid, a-mercapto- (3CI);2-Thiolactic acid;Thiolacticacid;a-Mercaptopropanoic acid;a-Mercaptopropionic acid;Thiolactic acid;
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Chemistry

Molecular Structure of 2-Thiolactic acid (CAS NO.79-42-5):

IUPAC Name: 2-Sulfanylpropanoic acid 
Molecular Formula: C3H6O2S
Molecular Weight: 106.14
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 2 
EINECS: 201-206-5 
Index of Refraction: 1.494
Molar Refractivity: 25.36 cm3
Molar Volume: 87.1 cm3
Surface Tension: 42.6 dyne/cm
Density: 1.218 g/cm3
Flash Point: 87 °C
Enthalpy of Vaporization: 48.66 kJ/mol
Boiling Point: 205.3 °C at 760 mmHg
Vapour Pressure: 0.103 mmHg at 25 °C
Melting Point: 10-14 °C(lit.)
Water Solubility: MISCIBLE
Product Categories: acid Flavor
Appearance: Clear colorless to slightly yellow liquid
Canonical SMILES: CC(C(=O)O)S
InChI: InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)
InChIKey: PMNLUUOXGOOLSP-UHFFFAOYSA-N
Air & Water Reactions: Soluble in water and denser than water

Uses

 2-Thiolactic acid (CAS NO.79-42-5) is used as temporarily allow the use of food spices. It is also used as a depilatory and in hair waving preparations.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 700ppm (700ppm)   Kodak Company Reports. Vol. 21MAY1971,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of 2-Thiolactic acid (CAS NO.79-42-5):
Hazard Codes: CorrosiveC
Risk Statements: 34-22 
R22:Harmful if swallowed. 
R34:Causes burns.
Safety Statements: 26-36/37/39-45-25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S25:Avoid contact with eyes. 
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.
RIDADR: UN 2936 6.1/PG 2
WGK Germany: 1
RTECS: UF5250000
HazardClass: 6.1
PackingGroup: II
Poison by ingestion. Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of SOx.

Standards and Recommendations

DOT Classification:  6.1; Label: Poison

Specification

 2-Thiolactic acid (CAS NO.79-42-5), its Synonyms are 2-Mercaptopropanoic acid ; 2-Mercaptopropionic acid ; Propanoic acid, 2-mercapto- ; Propionic acid, 2-mercapto- ; Thiolactic acid ; alpha-Mercaptopropanoic acid ; alpha-Mercaptopropionic acid ; 2-Thiolpropionic acid .

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