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646-01-5

646-01-5 Structure

646-01-5 Structure
IdentificationBack Directory
[Name]

3-METHYLTHIOPROPIONIC ACID
[CAS]

646-01-5
[Synonyms]

RARECHEM AL BE 0161
4-Thiapentanoic acid
3-METHYLTHIO PROPIONATE
3-METHYTHIOPROPIONIC ACID
3-METHYLTHIOPROPIONIC ACID
3-(METHYLTHIO)PROPANOIC ACID
3-(methy1thio)propionic acid
3-(Metghylthio)propionic acid
3-(Methylthio)propionicAcid>
3-METHYLMERCAPTOPROPIONIC ACID
3-METHYLTHIOPROPIONIC ACID 97+%
Propanoic acid, 3-(methylthio)-
Propionic acid, 3-(methylthio)-
3-(Methylsulfanyl)propanoic acid
3-(Methylsulfanyl)propionic acid
3-METHYLTHIOPROPIONIC ACID ISO 9001:2015 REACH
[EINECS(EC#)]

211-460-9
[Molecular Formula]

C4H8O2S
[MDL Number]

MFCD00059635
[MOL File]

646-01-5.mol
[Molecular Weight]

120.17
Chemical PropertiesBack Directory
[Melting point ]

16°C
[Boiling point ]

130°C 2mm
[density ]

1.160
[refractive index ]

1.4884
[Fp ]

130°C/15mm
[storage temp. ]

Store at -20°C
[form ]

powder to lump to clear liquid
[pka]

4.29±0.10(Predicted)
[color ]

White or Colorless to Light yellow
[Odor]

sweet sulfurous
[Water Solubility ]

Water : 25 mg/mL (208.04 mM)
[BRN ]

1743054
[InChI]

InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
[InChIKey]

CAOMCZAIALVUPA-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCSC
[LogP]

0.458 (est)
Safety DataBack Directory
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39
[RIDADR ]

3265
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29309090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Diethyl ether-->Magnesium sulfate-->Potassium hydroxide-->Sodium chloride-->Iodomethane-->3-Mercaptopropionic acid
[Preparation Products]

Ethyl 3-methylthiopropionate
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Definition]

ChEBI: A thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cass va pathogen Xanthomonas campestris manihotis.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYLTHIOPROPIONIC ACID(646-01-5)MS
3-METHYLTHIOPROPIONIC ACID(646-01-5)1HNMR
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