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Basic Information
CAS No.: 96-27-5
Name: 3-Mercapto-1,2-propanediol
Article Data: 18
Molecular Structure:
Molecular Structure of 96-27-5 (3-Mercapto-1,2-propanediol)
Formula: C3H8O2S
Molecular Weight: 108.161
Synonyms: 1,2-Dihydroxy-3-mercaptopropane;1-Mercapto-2,3-dihydroxypropane;1-Mercapto-2,3-propanediol;1-Mercaptoglycerol;1-Monothioglycerol;1-Thio-2,3-propanediol;1-Thio-DL-glycerol;1-Thioglycerol;2,3-Dihydroxy-1-propanethiol;2,3-Dihydroxypropanethiol;3-Mercapto-1,2-dihydroxypropane;3-Mercapto-1,2-propanediol;DL-1-Thioglycerol;Glycerol-1-thiol;NSC 5370;Thioglycerin;Thioglycerol;Thiovanol;a-Monothioglycerol;a-Thioglycerin;a-Thioglycerol;a-Thiolglycerol;
EINECS: 202-495-0
Density: 1.236 g/cm3
Melting Point: <25 °C
Boiling Point: 247 °C at 760 mmHg
Flash Point: 126.3 °C
Solubility: slightly soluble
Appearance: clear colorless to yellowish viscous solution
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 21/22-36/37/38
Safety: 26-36-23
Transport Information: UN 2810 6.1/PG 3
PSA: 79.26000
LogP: -0.73060
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Chemistry

Molecular Formula: C3H8O2S
Molar mass: 108.16 g/mol
EINECS: 202-495-0
Density: 1.236 g/cm3
Flash Point: 126.3 °C
Index of Refraction: 1.526
Storage temp: 2-8°C
Water solubility: slightly soluble
Solubility: absolute ethanol: 1 mL/mL
Sensitive: Air Sensitive & Hygroscopic
Boiling Point: 247 °C at 760 mmHg
Vapour Pressure: 0.00431 mmHg at 25°C
Appearance: Clear colorless to yellowish viscous solution
Product categories: Analytical Chemistry;Mass Spectrometry;Matrix Materials
Structure of Monothioglycerol (96-27-5):

XLogP3-AA: -0.8
H-Bond Donor: 2
H-Bond Acceptor: 2
IUPAC Name: 3-Sulfanylpropane-1,2-diol
Canonical SMILES: C(C(CS)O)O
InChI: InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2 
InChIKey: PJUIMOJAAPLTRJ-UHFFFAOYSA-N

Uses

 Monothioglycerol (96-27-5) is a chemical compound and thiol that is used as a matrix in liquid secondary ion mass spectrometry and fast atom bombardment mass spectrometry.

Toxicity Data With Reference

1.    

oms-esc 2000 ppm

    AMACCQ    Antimicrobial Agents and Chemotherapy. 19 (1981),556.
2.    

ipr-rat LD50:390 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),349.
3.    

ipr-mus LD50:340 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),349.
4.    

ivn-cat LD50:220 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),349.
5.    

ivn-rbt LD50:250 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 97 (1949),349.

Carcinogenicity of Monothioglycerol (96-27-5) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal and intravenous routes. Experimental reproductive effects. Mutation data reported. Flammable when exposed to heat or flame; can react with oxidizing materials. When heated to decomposition it emits highly toxic fumes of SOx. See also MERCAPTANS.
 

Hazard Codes: Xn,Xi
Risk Statements:
21:  Harmful in contact with skin
22:  Harmful if swallowed 
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing

Specification

 Monothioglycerol (96-27-5) also can be called 1,2-Dihydroxy-3-mercaptopropane ; 1-Thio-DL-glycerol ; 3-Sulfanyl-1,2-propanediol ; a-Monothioglycerol ; .alpha.-Monothioglycerol ; 1,2-propanediol, 3-mercapto- ; .alpha.-Thiolglycerol ; 3-Sulfanyl-1,2-propandiol ; 3-Sulfanylpropane-1,2-diol .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. While ,it's Inhaled: Remove from exposure and move to fresh air immediately. Then you have the ingesting of the product : Do not induce vomiting.If victim is conscious and alert, give 2-4 cupfuls of milk or water.
In addition, Monothioglycerol (96-27-5) can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidants, reducing agents, bases, alkali metals,and you must not take it with strong oxidants and incompatible materials.And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases, hydrogen sulfide, carbon dioxide, carbon monoxide, oxides of sulfur.