ChemicalBook--->CAS DataBase List--->13532-18-8

13532-18-8

13532-18-8 Structure

13532-18-8 Structure
IdentificationMore
[Name]

Methyl 3-methylthiopropionate
[CAS]

13532-18-8
[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
[EINECS(EC#)]

236-883-6
[Molecular Formula]

C5H10OS
[MDL Number]

MFCD00008565
[Molecular Weight]

118.2
[MOL File]

13532-18-8.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
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 .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29309070
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methyl acrylate-->Methyl mercaptan-->Methyl propionate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 3-methylthiopropionate(13532-18-8).msds
Questions And AnswerBack Directory
[Description]

Methyl 3-Methylthiopropionate is a faint yellow liquid with pineapple organoleptic properties, which belongs to the family of Thia Fatty Acids. It can be isolated from pineapple, melon, naranjila fruit and white wine or obtained by insertion of a sulfur atom at specific positions in the chain. It mostly serves as a flavor and fragrance without safety concern at current levels of intake. Besides, it serves as a additive applied in cigarettes, which was listed in the List of 599 Additives in Cigarettes submitted to the United States Department of Health and Human Services in April 1994.
[References]

https://en.wikipedia.org/wiki/List_of_additives_in_cigarettes
https://www.ulprospector.com/en/na/Food/Detail/16469/401544/Methyl-3-Methylthiopropionate
https://pubchem.ncbi.nlm.nih.gov/compound/Methyl_3-_methylthio_propionate#section=Patents
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-methylthiopropionate(13532-18-8)MS
Methyl 3-methylthiopropionate(13532-18-8)1HNMR
Methyl 3-methylthiopropionate(13532-18-8)13CNMR
Methyl 3-methylthiopropionate(13532-18-8)IR1
Methyl 3-methylthiopropionate(13532-18-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 3-(methylthio)propionate, 99+%(13532-18-8)
[Alfa Aesar]

Methyl 3-(methylthio)propionate, 98%(13532-18-8)
[Sigma Aldrich]

13532-18-8(sigmaaldrich)
[TCI AMERICA]

3-Methylthiopropionic Acid Methyl Ester,>98.0%(GC)(13532-18-8)
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