26473-47-2

Name 3-MERCAPTOISOBUTYRIC ACID
CAS 26473-47-2
EINECS(EC#) 247-726-6
Molecular Formula C4H8O2S
MDL Number MFCD00671555
Molecular Weight 120.17
MOL File 26473-47-2.mol
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Chemical Properties

Appearance Pale Yellow Oil
Boiling point  122°C 12mm
density  1,15 g/cm3
refractive index  1.4820 to 1.4860
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol
form  neat
pka 4.41±0.10(Predicted)
color  Colourless to Pale Yellow
Usage A usefule synthetic intermediate
Major Application pharmaceutical (small molecule)
InChI 1S/C4H8O2S.Na/c1-3(2-7)4(5)6;/h3,7H,2H2,1H3,(H,5,6);/q;+1/p-1
InChIKey FOTPRJUNQGWLCM-UHFFFAOYSA-M
SMILES [Na+].SCC(C)C(=O)[O-]
LogP 0.733 (est)
CAS DataBase Reference 26473-47-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
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 .
WGK Germany  WGK 3
HS Code  2930909899
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Acute Tox. 4 Inhalation
Eye Dam. 1
Met. Corr. 1
Skin Corr. 1B

Hazard Information

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