ChemicalBook CAS DataBase List 13532-18-8

13532-18-8

Name	Methyl 3-methylthiopropionate
CAS	13532-18-8
EINECS(EC#)	236-883-6
Molecular Formula	C5H10OS
MDL Number	MFCD00008565
Molecular Weight	118.2
MOL File	13532-18-8.mol

Synonyms

3-METHYLTHIOPROPIONIC ACID METHYL ESTER FEMA 2720 METHYL 3-(METHYLMERCAPTO)PROPIONATE METHYL 3-(METHYLTHIO)PROPIONATE METHYL BETA-METHIOPROPIONATE METHYL BETA-METHYLMERCAPTO PROPIONATE METHYL-BETA-METHYLTHIOPROPIONATE RARECHEM AL BF 0161 3-(methylthio)-propanoicacimethylester 3-methylsulfanyl-propanoicacidmethylester 3-methylsulfanyl-propionicacidmethylester Methyl 3-(methylsulfanyl)propanoate methyl 3-methylthiopropanoate Methyl ester of 3-(methylthio)propanoic acid Methyl methylthiopropanoate methyl3-(methylthio)propanoate Propanoic acid, 3-(methylthio)-, methyl ester Propanoicacid,3-(methylthio)-,methylester Propionic acid, 3-(methylthio)-, methyl ester Methyl 3-(methylmercapto)propionate~3-(Methylthio)propionic acid methyl ester

Chemical Properties

Appearance	CLEAR COLOURLESS LIQUID
Boiling point	74-75 °C/13 mmHg (lit.)
density	1.077 g/mL at 25 °C(lit.)
FEMA	2720
refractive index	n20/D 1.465(lit.)
Fp	162 °F
storage temp.	2-8°C, stored under nitrogen
solubility	Chloroform (Soluble), Methanol (Sparingly)
form	Liquid
color	Clear colorless
Odor	at 0.10 % in propylene glycol. sulfurous vegetable onion sweet garlic tomato
biological source	synthetic
Odor Type	sulfurous
JECFA Number	472
BRN	1745077
InChI	1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3
InChIKey	DMMJVMYCBULSIS-UHFFFAOYSA-N
SMILES	COC(=O)CCSC
LogP	1.04
CAS DataBase Reference	13532-18-8(CAS DataBase Reference)
NIST Chemistry Reference	3-(Methylthio)propanoic acid methyl ester(13532-18-8)
EPA Substance Registry System	13532-18-8(EPA Substance)

Safety Data

Symbol(GHS)	GHS02
Signal word	Warning
Hazard statements	H227
Precautionary statements	P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes . less more
RIDADR	UN 3334
WGK Germany	3
TSCA	Yes
HS Code	29309070
Storage Class	10 - Combustible liquids

Raw materials And Preparation Products

Hazard Information

Chemical Properties

CLEAR COLOURLESS LIQUID

Chemical Properties

Methyl-3-methylthiopropionate has an extremely powerful, penetrating, sweet odor, onion-like at high concentrations and a sweet pineapple flavor at high dilutions.

Occurrence

Reported found in pineapple fruit, white wine, melon and naranjilla fruit.

Uses

Methyl 3-(methylthio)propionate was used to prepare 3-methiolpropionate(MMPA) to study the demethylation of Dimethylsulfoniopropionate and MMPA to 3-mercaptopropionate by aerobic marine bacterium. Methyl 3-(methylthio)propionate was used to prepare 3-(Methylthio)propionic acid to examine the methionine catabolism by Lactococci by 13C Nuclear Magnetic Resonance and Gas Chromatography.

Definition

ChEBI: Methyl 3-(methylthio)propanoate is a carboxylic ester.

Aroma threshold values

Detection: 180 ppb

Taste threshold values

Taste characteristics at 5 ppm: vegetative, radish and horseradish.

General Description

Methyl 3-(methylthio)propionate is the major ester present in the flavour profile of juices made from fresh-cut pineapple fruits.

Synthesis

Obtained in 84% yields by reacting with CH3SH; the corresponding acid also has been synthesized.

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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13532-18-8

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Hazard Information

Chemical Properties

Chemical Properties

Occurrence

Uses

Definition

Aroma threshold values

Taste threshold values

General Description

Synthesis

Material Safety Data Sheet(MSDS)

Questions And Answer

Description

References

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Related Products