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Ethyl 3-methylthiopropionate

Ethyl 3-methylthiopropionate structure

CAS No:
13327-56-5
Formula:
C6H12O2S
Chemical Name:
Ethyl 3-methylthiopropionate
Synonyms:
Propanoic acid,3-(methylthio)-,ethyl ester;Propionic acid,3-(methylthio)-,ethyl ester;Ethyl β-methylthiopropionate;3-(Methylthio)propionic acid ethyl ester;Ethyl 3-methylthiopropanoate;Ethyl 3-methylthiopropionate;NSC 165650;3-(Methylthio)propanoic acid ethyl ester;Ethyl 3-methylthio-1-propanoate;Ethyl 3-methylmercapto-propionate
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

CLEAR COLORLESS TO PALE YELLOWISH LIQUID Ethyl-β-methylthiopropionate has a pineapple, citrus odor and fruity, pineapple, passion fruit, malt whiskey flavor.ChEBI: A carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with ethanol.

colourless to pale yellow liquid with onion-like, fruity, sweet odour

Ethyl 3-(methylthio)propionate is a carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with ethanol. It has a role as a plant metabolite. It is a carboxylic ester and a methyl sulfide. It derives from a 3-(methylthio)propionic acid.

Ethyl 3-methylthiopropionate Basic Attributes

Molecular Weight：

148.22

Exact Mass：

148.22

BRN：

1748688

EC Number：

236-370-7

UNII：

1AVT374NII

NSC Number：

165650

DSSTox ID：

DTXSID2065414

HScode：

29309090

Characteristics

PSA：

51.6

XLogP3：

1.1

Appearance：

COLORLESS TO PALE YELLOW LIQUID

Density：

1.032 g/mL at 25 °C(lit.)

Boiling Point：

71-72 °C @ Press: 0.8 Torr

Flash Point：

177 °F

Refractive Index：

n 20/D 1.46(lit.)

Water Solubility：

4534 mg/L @ 25 °C (est)|1 mL in 1 mL 95% alcohol (in ethanol)

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.324mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 3334

wgk germany：

hazard class code：

safety instructions：

24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

Not Classified

Ethyl 3-methylthiopropionate Use and Manufacturing

Methods of Manufacturing

By the reaction of ethyl acrylate and methyl mercaptan in the presence of sodium methoxide.

Uses

Used as food flavor

Manufacturing Info：

Propanoic acid, 3-(methylthio)-, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:148.23
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:148.05580079
Monoisotopic Mass:148.05580079
Topological Polar Surface Area:51.6
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3-methylthiopropionate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Ethyl 3-methylthiopropionate

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