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Ethyl 3-mercaptopropionate

Ethyl 3-mercaptopropionate structure

CAS No:
5466-06-8
Formula:
C5H10O2S
Chemical Name:
Ethyl 3-mercaptopropionate
Synonyms:
Propanoic acid,3-mercapto-,ethyl ester;Propionic acid,3-mercapto-,ethyl ester;Ethyl 3-mercaptopropionate;Ethyl β-mercaptopropionate;3-Mercaptopropanoic acid ethyl ester;Ethyl 3-mercaptopropanoate;3-Mercaptopropionic acid ethyl ester;NSC 25754;β-Mercaptopropionic acid ethyl ester;EPM (thiol);EPM
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

colourless liquid with an unpleasant smell Ethyl 3-mercaptopropionate has a skunk, meaty odor.

clear liquid

Ethyl 3-mercaptopropanoic acid is a carboxylic ester.

Ethyl 3-mercaptopropionate Basic Attributes

Molecular Weight：

134.2

Exact Mass：

134.20

EC Number：

226-771-5

UNII：

22GQZ8P70D

NSC Number：

25754

DSSTox ID：

DTXSID7063922

HScode：

2930909090

Characteristics

PSA：

27.3

XLogP3：

1.40

Appearance：

Clear colorless to yellow, may darken during storage Liquid

Density：

1.0550 g/cm³ @ Temp: 20 °C

Boiling Point：

77.5 °C @ Press: 20 Torr

Flash Point：

72°C

Refractive Index：

1.455

Water Solubility：

6878 mg/L @ 25 °C (est)

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

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：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1439 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl 3-mercaptopropionate

Ethyl 3-mercaptopropionate Use and Manufacturing

Uses

Spices for food.

Manufacturing Info：

Propanoic acid, 3-mercapto-, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:134.20
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:134.04015073
Monoisotopic Mass:134.04015073
Topological Polar Surface Area:27.3
Heavy Atom Count:8
Complexity:72.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3-mercaptopropionate

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

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