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7400-45-5

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7400-45-5 Structure

7400-45-5 Structure
IdentificationBack Directory
[Name]

DIMETHYL 3-THIAADIPATE
[CAS]

7400-45-5
[Synonyms]

Nsc 59279
Einecs 231-002-1
TIMTEC-BB SBB007663
DIMETHYL 3-THIAADIPATE
Methyl 3-((2-methoxy-2-oxoethyl)
3-Thiaadipic Acid Dimethyl Ester
METHYL 3-((2-METHOXY-2-OXOETHYL)THIO)PR&
methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate
METHYL 3-[(2-METHOXY-2-OXOETHYL)THIO]PROPANOATE
METHYL 3-[(METHOXYCARBONYL)-METHYLTHIO]PROPIONATE
Methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate 95%
Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoate
3-[(CarboxyMethyl)thio]propionic Acid DiMethyl Ester
3-[(2-methoxy-2-oxoethyl)thio]-propanoicacimethylester
3-(Methoxycarbonylmethylthio)propionic Acid Methyl Ester
Propanoic acid, 3-(carbomethoxymethylthio)-, methyl ester
3-[(2-Methoxy-2-oxoethyl)thio]propionic acid methyl ester
3-[(2-Methoxy-2-oxoethyl)thio]-propanoic acid Methyl ester
3-Methoxycarbonylmethylsulfanyl-propionic acid methyl ester
Propanoic acid, 3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
Propanoic acid, 3-(((methoxycarbonyl)methyl)thio)-, methyl ester
Propanoic acid, 3-(((methoxycarbonyl)methyl)thio)-, methyl ester (9ci)
[EINECS(EC#)]

231-002-1
[Molecular Formula]

C7H12O4S
[MDL Number]

MFCD00043633
[MOL File]

7400-45-5.mol
[Molecular Weight]

192.23
Chemical PropertiesBack Directory
[Boiling point ]

258-259 °C(lit.)
[bulk density]

1.154g/mL
[density ]

1.164±0.06 g/cm3(Predicted)
[refractive index ]

n20/D 1.4750(lit.)
[Fp ]

130 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Dichloromethane
[form ]

Oil
[color ]

Light Yellow
[InChI]

1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3
[InChIKey]

XNDKLLFGXIEGKL-UHFFFAOYSA-N
[SMILES]

COC(=O)CCSCC(=O)OC
[EPA Substance Registry System]

Propanoic acid, 3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester (7400-45-5)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
[Risk Statements ]

10
[Safety Statements ]

16-24/25
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2930.90.9250
[HazardClass ]

3
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

Light Yellow Oil
[Uses]

3-[(Carboxymethyl)thio]propionic Acid Dimethyl Ester (cas# 7400-45-5) is a compound useful in organic synthesis.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 68, p. 2229, 1946 DOI: 10.1021/ja01215a034
Spectrum DetailBack Directory
[Spectrum Detail]

DIMETHYL 3-THIAADIPATE(7400-45-5)1HNMR
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