Isooctyl 3-mercaptopropionate

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Molecular Formula:

C11H22O2S

Molecular Weight:

218.36

CAS Number:

30374-01-7

Catalog Number:

30374-01-7

Product Information

Molecular Formula:

C11H22O2S

Molecular Weight:

218.36

Description

Polymerization modifier: crosslinking agent, chain transfer agent.

Synonyms

6-Methylheptyl 3-mercaptopropanoate; Propanoic acid, 3-mercapto-, isooctyl ester

IUPAC Name

6-methylheptyl 3-sulfanylpropanoate

Canonical SMILES

CC(C)CCCCCOC(=O)CCS

InChI

InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3

InChI Key

ZHUWXKIPGGZNJW-UHFFFAOYSA-N

Boiling Point

285.9 °C at 760 mmHg

Flash Point

14 °F

Purity

95 %

Density

0.957 g/cm³

Refractive Index

n20/D 1.458 (lit.)

Safety Information

Hazards

H225

Precautionary Statement

P210

Computed Properties

XLogP3

3.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

218.13405111 g/mol

Monoisotopic Mass

218.13405111 g/mol

Topological Polar Surface Area

27.3Å²

Heavy Atom Count

Formal Charge

Complexity

146

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Isooctyl 3-mercaptopropionate

Product Information

Safety Information

Computed Properties

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