2-Ethylhexyl 3-mercaptopropanoate

Name: 2-Ethylhexyl 3-mercaptopropanoate
Brand: ChemScene
Availability: InStock
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CAS No. 50448-95-8
Cat. No. CS-0134282
Purity≥97%
MDL No.MFCD00087933

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Ethylhexyl 3-mercaptopropanoate|CS-0134282

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General Information

CAS No. 50448-95-8
Cat. No. CS-0134282
Purity ≥97%
MDL No. MFCD00087933
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₂O₂S
Molecular Weight 218.36
Synonym(s) Mercaptopropionicacidethylhexylester
SMILES O=C(OCC(CC)CCCC)CCS

Description

2-Ethylhexyl 3-mercaptopropanoate features a thiol-functionalized ester structure that enables efficient coupling in polymerization and crosslinking systems. The bulky alkyl chain imparts enhanced solubility and stability, while the reactive sulfhydryl group facilitates selective conjugation under mild conditions. This compound serves as a key building block for functional coatings and advanced materials.

Application

2-Ethylhexyl 3-mercaptopropanoate serves as a versatile thiol-containing ester for conjugate additions and metal-catalyzed coupling reactions. Its alkylthioester functionality enables reliable derivatization in synthetic workflows, offering excellent bench stability and ease of purification. Functions effectively as a building block in the synthesis of functionalized polymers and bioactive molecules through selective thiol reactivity.

Synthesis

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- In-stock
  
  104-76-7
- 107-96-0
- ~%
- In-stock
  
  50448-95-8
References
- Oswald,A.A. et al. Canadian Journal of Chemistry, 1967 , vol. 45, p. 1173 - 1184

Safety Information

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GHS Pictogram :	GHS No : GHS06,GHS09
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H331-H400-H410
Precautionary Statements : P261-P271-P273-P304+P340-P311-P391-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 3.0659
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 8

Other Classifications

Bioactive Molecules Natural Products

Building Blocks Skeleton Fatty chain compounds

Material Science Electronic Materials Self assembly and contact printing materials

Building Blocks Functional Group Mercaptan

Building Blocks Functional Group Ester

Material Science Electronic Materials Self Assembly Materials, Contact Printing Materials Self-Assembly Materials

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2-Ethylhexyl 3-mercaptopropanoate

CAS No. 50448-95-8

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