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Molecule
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
Identifiers
CAS Registry Number
638-08-4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI Key
WVJVHUWVQNLPCR-UHFFFAOYSA-N
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
Names and Synonyms
- Stearic Anhydride Common Name
- Octadecanoic acid, 1,1′-anhydride Synonym
- Stearic anhydride Synonym
- Octadecanoic acid, anhydride Synonym
- Stearic acid anhydride Synonym
- Cyanasize 400 Synonym
- Octadecanoic anhydride Synonym
- Stearoyl anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 550.95 g/mol | CAS Common Chemistry |
| 550.9530000000004 g/mol | RDKit | |
| 550.953 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.855 g/cm3 @ 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 |
| 43.37 Ų | RDKit | |
| LogP | 12.579199999999979 | RDKit |
| 12.5792 | RDKit | |
| 12.82 | chempirical lib | |
| Molar Refractivity | 170.19099999999958 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 550.5324961 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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Quick conversion
MW = 550.95 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
