Back to Search
Stearic Anhydride
CAS: 638-08-4 | C36H70O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
638-08-4
Molecular Formula:
C36H70O3
Molecular Mass:
550.95 g/mol
Names and Synonyms:
Stearic Anhydride
Octadecanoic acid, 1,1′-anhydride
Stearic anhydride
Octadecanoic acid, anhydride
Stearic acid anhydride
Cyanasize 400
Octadecanoic anhydride
Stearoyl anhydride
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
Key Properties
Melting Point
72 °C
CAS Common Chemistry
Density
0.86 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 | 550.95 g/mol | CAS Common Chemistry |
| 550.9530000000004 g/mol | RDKit | |
| 550.5324961 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.855 g/cm3 @ Temp: 80 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WVJVHUWVQNLPCR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72 °C | CAS Common Chemistry |
| Name | Stearic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 32 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 12.579199999999979 | RDKit |
| Molar Refractivity | 170.19099999999958 | RDKit |
