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Pentaerythritol Triallyl Ether
CAS: 1471-17-6 | C14H24O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1471-17-6
Molecular Formula:
C14H24O4
Molecular Mass:
256.34 g/mol
Names and Synonyms:
Pentaerythritol Triallyl Ether
1-Propanol, 3-(2-propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-
1-Propanol, 3-(allyloxy)-2,2-bis[(allyloxy)methyl]-
1-Propanol, 3-(2-propenyloxy)-2,2-bis[(2-propenyloxy)methyl]-
3-(2-Propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-1-propanol
Pentaerythritol triallyl ether
3-(Allyloxy)-2,2-bis[(allyloxy)methyl]-1-propanol
Triallyl pentaerythritol
Neoallyl P 30
Neoallyl P 30M
P 30
PETE
P 30M
Triallyl pentaerythritol ether
3-Prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
Identifiers:
SMILES:
C=CCOCC(CO)(COCC=C)COCC=C
InChI:
InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2
Key Properties
Boiling Point
152-152.50 °C @ Press: 9.5-10 Torr
CAS Common Chemistry
Density
1.26 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 | 256.34 g/mol | CAS Common Chemistry |
| 256.3419999999999 g/mol | RDKit | |
| 256.167459248 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.261 g/cm3 @ Temp: 22 °C | CAS Common Chemistry | |
| Boiling Point | 152-152.50 °C @ Press: 9.5-10 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC(COCC=C)(COCC=C)COCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FYRWKWGEFZTOQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentaerythritol triallyl ether | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 1.5729 | RDKit |
| Molar Refractivity | 72.56680000000004 | RDKit |
