Back to Search
Molecule
Butyl Stearate
CAS: 123-95-5 · C22H44O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 123-95-5
- Molecular Formula
- C22H44O2
- Molecular Mass
- 340.59 g/mol
Identifiers
CAS Registry Number
123-95-5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCC
InChI Key
ULBTUVJTXULMLP-UHFFFAOYSA-N
InChI
InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
Names and Synonyms
- Butyl Stearate Common Name
- Octadecanoic acid, butyl ester Synonym
- Stearic acid, butyl ester Synonym
- Apex 4 Synonym
- n-Butyl octadecanoate Synonym
- Butyl stearate Synonym
- Kesscoflex BS Synonym
- Polycizer 332 Synonym
- RC Plasticizer B 17 Synonym
- n-Butyl stearate Synonym
- Witcizer 200 Synonym
- Witcizer 201 Synonym
- Butyl octadecanoate Synonym
- Emerest 2325 Synonym
- Groco 5810 Synonym
- Tegester Butyl Stearate Synonym
- Wickenol 122 Synonym
- Kessco BSC Synonym
- Starfol BS 100 Synonym
- Uniflex BYS-Code C Synonym
- NJLUB BS Synonym
- Exceparl BS Synonym
- Loxiol G 31 Synonym
- Kemester 5510 Synonym
- Crodamol BS Synonym
- Nissan Unister M 476 Synonym
- Emerest 2326 Synonym
- Nikkol BS Synonym
- NSC 4820 Synonym
- Kessco BS-COS Synonym
- DL 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 340.59 g/mol | CAS Common Chemistry |
| 340.5920000000001 g/mol | RDKit | |
| 340.592 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.854 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 343 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCC)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ULBTUVJTXULMLP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 27 °C | CAS Common Chemistry |
| Name | Butyl stearate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 19 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 7.591200000000009 | RDKit |
| 7.5912 | RDKit | |
| 7.95 | chempirical lib | |
| Molar Refractivity | 105.4130000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9545 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 340.334130648 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
Convert
Quick conversion
MW = 340.59 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H44O2.
