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Molecule
Batyl Alcohol
CAS: 544-62-7 · C21H44O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 544-62-7
- Molecular Formula
- C21H44O3
- Molecular Mass
- 344.58 g/mol
Identifiers
CAS Registry Number
544-62-7
SMILES
CCCCCCCCCCCCCCCCCCOCC(O)CO
InChI Key
OGBUMNBNEWYMNJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3
Names and Synonyms
- Batyl Alcohol Common Name
- (±)-Batyl alcohol Synonym
- (RS)-Batyl alcohol Synonym
- 1,2-Propanediol, 3-(octadecyloxy)- Synonym
- 3-(Octadecyloxy)-1,2-propanediol Synonym
- Batilol Synonym
- Batyl alcohol Synonym
- Glycerol monooctadecyl ether Synonym
- 1-O-Octadecylglycerol Synonym
- Glyceryl-1-octadecyl ether Synonym
- Stearyl monoglyceride Synonym
- 1-Octadecyloxy-2,3-dihydroxypropane Synonym
- Glycerol 1-octadecyl ether Synonym
- 1-Octadecylglycerol Synonym
- α-Monostearyl glyceryl ether Synonym
- rac-1-O-Octadecylglycerol Synonym
- (±)-1-Octadecylglycerol Synonym
- (±)-3-(Octadecyloxy)-1,2-propanediol Synonym
- 2,3-Dihydroxypropyl octadecyl ether Synonym
- 3-Stearyloxy-1,2-propylene glycol Synonym
- Nikkol Batyl Alcohol EX Synonym
- Octadecyl-α-glycerol ether Synonym
- NSC 284200 Synonym
- NSC 8716 Synonym
- Nikkol Batyl Alcohol 100 Synonym
- Batil alcohol Synonym
- Glycerol 1-octdecyl ether Synonym
- 1-Octadecyloxy-2,3-propanediol Synonym
- 3-Octadecoxypropane-1,2-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 344.58 g/mol | CAS Common Chemistry |
| Canonical SMILES | OCC(O)COCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OGBUMNBNEWYMNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5 °C | CAS Common Chemistry |
| Name | Batyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 5.617700000000006 | RDKit |
| 5.6177 | RDKit | |
| Molar Refractivity | 103.45760000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 344.32904526799996 g/mol | RDKit |
| Boiling Point | 215-220 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 344.58 g/mol. Edit any field — others recompute live.
