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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 Mass:
488.67 g/mol
Names and Synonyms:
Pentaerythritol Tetra(3-Mercaptopropionate)
PC-TOL M 490
Propanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester
Propionic acid, 3-mercapto-, neopentanetetrayl ester
Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester
Pentaerythritol, tetrakis(3-mercaptopropionate)
Pentaerythritol tetrakis(β-mercaptopropionate)
Pentaerythrityl tetrakis(β-mercaptopropionate)
Q 43 (polythiol)
Pentaerythritol mercaptopropionate
Mercaptate Q 43 ester
Pentaerythritol tetrakis(mercaptopropionate)
Pentaerythritol tetrakis(β-thiopropionate)
Pentaerythritol tetra(3-mercaptopropionate)
β-Mercaptopropionic acid tetraester with pentaerythritol
Pentaerythritol tetra-β-mercaptopropionate
Tetrakis(3-mercaptopropionate)pentaerythritol
Pentaerythritol tetra(mercaptopropionate)
Pentaerythritol tetrakis(3-mercaptopropanoate)
Epicure QX 40
PTMP
PTMP (accelerator)
Adeka EH 316
QX 40
Pentaerythritol tetra(β-thiopropionate)
PETP (polythiol)
PETP
Adeka EH 317
Q 43
Adeka Hardener EH 317
4SH
JER Cure QX 40
POS 405
PEMP
PEMP 20P
Thiocure PETMP Low Odor
Thiocure PETMP
PET 3MP
Tetramethylolmethane tetramercaptopropionate
EH 316
Pentaerythritol tetrakis(3-thiopropionate)
EH 317
Pentaerythritol (3-mercaptopropionate)
PBMP
PEMP-II 20P
PETMP
S 4P
PEMP 2-20P
Pentaerythritol terakis(3-mercaptopropionate)
[3-(3-Sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
Pentaerythritol tetrakis-(3-mercaptopropionoate)
Polythiol 402
Jingbo 402
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
Key Properties
Density
1.28 g/cm³
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 488.67 g/mol | CAS Common Chemistry |
| 488.67100000000033 g/mol | RDKit | |
| 488.0667018559999 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.281 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)CCS | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JOBBTVPTPXRUBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentaerythritol tetra(3-mercaptopropionate) | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.20000000000002 Ų | RDKit |
| LogP | 1.4251999999999998 | RDKit |
| Molar Refractivity | 120.14900000000003 | RDKit |
