3-Mercaptopropionic acid 2-ethylhexyl ester

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Catalog Number
ACM50448958
Product Name
3-Mercaptopropionic acid 2-ethylhexyl ester
Structure
Structure
CAS
50448-95-8
Category
Heterocyclic Organic Compound
Description
Clear colourless to pale yellow liquid; Sweet penetrating aroma
IUPAC Name
2-ethylhexyl 3-sulfanylpropanoate
Molecular Weight
218.36g/mol
Molecular Formula
C11H22O2S
Canonical SMILES
CCCCC(CC)COC(=O)CCS
InChI
InChI=1S/C11H22O2S/c1-3-5-6-10(4-2)9-13-11(12)7-8-14/h10,14H,3-9H2,1-2H3
InChI Key
SUODCTNNAKSRHB-UHFFFAOYSA-N
Density
0.964-0.970 (20?°)
Solubility
Practically insoluble or insoluble in water;Soluble (in ethanol)
Complexity
148
Covalently-Bonded Unit Count
1
EC Number
256-589-1
Exact Mass
218.134051g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
14
Monoisotopic Mass
218.134051g/mol
Refractive Index
1.458-1.464
Rotatable Bond Count
9
XLogP3
3.5
MSDS
Download MSDS
COA
Download COA
Spec Sheet
Download Spec Sheet
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