3-(Methylthio)propanoic acid
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3-(Methylthio)propanoic acid
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CAS No:
646-01-5
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Formula:
C4H8O2S
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Chemical Name:
3-(Methylthio)propanoic acid
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Synonyms:
Propanoic acid,3-(methylthio)-;Propionic acid,3-(methylthio)-;3-(Methylthio)propanoic acid;3-(Methylthio)propionic acid;3-(Methylmercapto)propionic acid;3-(Methylmercapto)propanoic acid;3-Methylsulfanylpropionic acid;3-Methylthio-1-propanic acid;3-Methylsulfanylpropanoic acid;103722-83-4
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CAS No:
Description
3-(Methylthio)propionic acid is an intermediate in the methionine metabolism.
Solid
3-(methylthio)propionic acid is 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 cassava pathogen Xanthomonas campestris manihotis. It has a role as a phytotoxin. It derives from a propionic acid. It is a conjugate acid of a 3-(methylthio)propionate.
Characteristics
52.32000
1.67190
Solid
1.158 g/cm3 @ Temp: 20 °C
53 °C @ Solvent: Ligroine
102-104 °C @ Press: 0.5 Torr
130°C/15mm
1.4884
6.737e+004 mg/L @ 25 °C (est)
Safety Information
II
8
3265
34
26-36/37/39
P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, P501
H290
|Danger|H290 (14.29%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(Methylthio)propanoic acid Use and Manufacturing
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Thia fatty acids [FA0113]
Flavoring Agents
Computed Properties
Molecular Weight:120.17
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:120.02450067
Monoisotopic Mass:120.02450067
Topological Polar Surface Area:62.6
Heavy Atom Count:7
Complexity:62.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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