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Pentaerythritol Tetra(3-Mercaptopropionate)

CAS: 7575-23-7 | C17H28O8S4

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 7575-23-7
Molecular Formula: C17H28O8S4
Molecular Weight: 488.67100000000033 g/mol

Names and Synonyms:

Pentaerythritol Tetra(3-Mercaptopropionate)
Jingbo 402
Polythiol 402
Pentaerythritol tetrakis-(3-mercaptopropionoate)
[3-(3-Sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
Pentaerythritol terakis(3-mercaptopropionate)
PEMP 2-20P
S 4P
PETMP
PEMP-II 20P
PBMP
Pentaerythritol (3-mercaptopropionate)
EH 317
Pentaerythritol tetrakis(3-thiopropionate)
EH 316
Tetramethylolmethane tetramercaptopropionate
PET 3MP
Thiocure PETMP
Thiocure PETMP Low Odor
PEMP 20P
PEMP
POS 405
JER Cure QX 40
4SH
Adeka Hardener EH 317
Q 43
Adeka EH 317
PETP
PETP (polythiol)
Pentaerythritol tetra(β-thiopropionate)
QX 40
Adeka EH 316
PTMP (accelerator)
PTMP
Epicure QX 40
Pentaerythritol tetrakis(3-mercaptopropanoate)
Pentaerythritol tetra(mercaptopropionate)
Tetrakis(3-mercaptopropionate)pentaerythritol
Pentaerythritol tetra-β-mercaptopropionate
β-Mercaptopropionic acid tetraester with pentaerythritol
Pentaerythritol tetra(3-mercaptopropionate)
Pentaerythritol tetrakis(β-thiopropionate)
Pentaerythritol tetrakis(mercaptopropionate)
Mercaptate Q 43 ester
Pentaerythritol mercaptopropionate
Q 43 (polythiol)
Pentaerythrityl tetrakis(β-mercaptopropionate)
Pentaerythritol tetrakis(β-mercaptopropionate)
Pentaerythritol, tetrakis(3-mercaptopropionate)
Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester
Propionic acid, 3-mercapto-, neopentanetetrayl ester
Propanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester
PC-TOL M 490

Identifiers:

SMILES:
O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
InChI:
InChI=1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Physical Properties molecular_mass 488.67 g/mol Legacy Database
density 1.28 g/cm³ Legacy Database
cas-canonical-smile O=C(OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)CCS Legacy Database
cas-density 1.281 g/cm3 @ Temp: 25 °C Legacy Database
cas-inchi InChI=1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2 Legacy Database
cas-inchi-key InChIKey=JOBBTVPTPXRUBP-UHFFFAOYSA-N Legacy Database
cas-name Pentaerythritol tetra(3-mercaptopropionate) Legacy Database
LogP 1.4251999999999998 RDKit
Molecular Molecular Weight 488.67100000000033 g/mol RDKit
Exact Exact Molecular Weight 488.0667018559999 g/mol RDKit
Heavy Heavy Atom Count 29 count RDKit
Hydrogen Hydrogen Bond Acceptors 12 count RDKit
Hydrogen Bond Donors 4 count RDKit
Rotatable Rotatable Bonds 16 count RDKit
Aromatic Aromatic Ring Count 0 count RDKit
Topological Topological Polar Surface Area 105.20000000000002 Ų RDKit
Molar Molar Refractivity 120.14900000000003 RDKit

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