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| CAS No.: | 2935-90-2 |
|---|---|
| Name: | Methyl 3-mercaptopropionate |
| Article Data: | 31 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8O2S |
| Molecular Weight: | 120.172 |
| Synonyms: | Propionic acid,3-mercapto-, methyl ester (7CI,8CI);3-Mercaptopropanoic acid methyl ester;3-Mercaptopropionic acid methyl ester;3-Thiopropanoic acid methyl ester;MPM;MPM (thiol);Methyl b-mercaptopropionate;NSC 137814;b-Mercaptopropionic acid methylester; |
| EINECS: | 220-912-4 |
| Density: | 1.072 g/cm3 |
| Melting Point: | -60oC |
| Boiling Point: | 164.4 °C at 760 mmHg |
| Flash Point: | 60 °C |
| Solubility: | Soluble in water. |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 T,  Xi
|
| Risk Codes: | 22-23-36/37/38 |
| Safety: | 45-37/39-26 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 65.10000 |
| LogP: | 0.47930 |
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Chemistry
Molecular Structure of Methyl 3-mercaptopropionate (2935-90-2):
EINECS: 220-914-5
IUPAC Name: Methyl 3-sulfanylpropanoate
Molecular Formula: C4H8O2S
Molecular Weight: 120.17012 g/mol
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: COC(=O)CCS
InChI: InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
InChIKey: LDTLDBDUBGAEDT-UHFFFAOYSA-N
Index of Refraction: 1.452
Molar Refractivity: 30.25 cm3
Molar Volume: 112 cm3
Surface Tension: 32.6 dyne/cm
Density: 1.072 g/cm3
Flash Point: 60 °C
Boiling Point: 164.4 °C at 760 mmHg
Enthalpy of Vaporization: 40.09 kJ/mol
Vapour Pressure: 1.97 mmHg at 25 °C
Water Solubility: 2.047e+004 mg/L at 25 °C
Refractive Index: n20/D 1.464(lit.)
BRN: 1742952
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | 1720mg/m3/4H (1720mg/m3) | BEHAVIORAL: TREMOR | National Technical Information Service. Vol. OTS0546566, |
Safety Profile
Safety Information of Methyl 3-mercaptopropionate (2935-90-2):
Hazard Codes: T .gif){kind=small}
,Xi .gif){kind=small}
Risk Statements: 22-23-36/37/38
22: Harmful if swallowed
23: Toxic by inhalation
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 45-37/39-26
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: UA2465980
F: 13
HazardClass: 3
PackingGroup: II
Specification
Methyl 3-mercaptopropionate (2935-90-2) is stench colorless clear liquid, also known as Methyl mercaptopropionate ; 3-Mercaptopropionic acid methyl ester ; Propanoic acid, 3-mercapto-, methyl ester ; Propionic acid, 3-mercapto-, methyl ester ; Methyl .beta.-mercaptopropionate . It can be used as pesticide intermediate.