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Molecule
Ethylhexylglycerin
CAS: 70445-33-9 · C11H24O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 70445-33-9
- Molecular Formula
- C11H24O3
- Molecular Mass
- 204.31 g/mol
Identifiers
CAS Registry Number
70445-33-9
SMILES
CCCCC(CC)COCC(O)CO
InChI Key
NCZPCONIKBICGS-UHFFFAOYSA-N
InChI
InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3
Names and Synonyms
- Ethylhexylglycerin Common Name
- 1,2-Propanediol, 3-[(2-ethylhexyl)oxy]- Synonym
- 3-[(2-Ethylhexyl)oxy]-1,2-propanediol Synonym
- Sensiva SC 50 Synonym
- Glycerol α-(2-ethylhexyl) ether Synonym
- Sensiva SC 50JP Synonym
- Sensiva AC 50JP Synonym
- Glyceryl 1-mono(2-ethylhexyl) ether Synonym
- Lexgard E Synonym
- MinaCare Hexcine Synonym
- Adekanol GE-RF Synonym
- 1-(2-Ethylhexyl) glycerol ether Synonym
- Ethylhexylglycerin Synonym
- ethylhexylglycerine Synonym
- Saskine 50 Synonym
- Ethylhexyl glycerin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.31 g/mol | CAS Common Chemistry |
| 204.30999999999997 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylhexylglycerin | CAS Common Chemistry |
| Canonical SMILES | OCC(O)COCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NCZPCONIKBICGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-[(2-Ethylhexyl)oxy]-1,2-propanediol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 1.5725999999999998 | RDKit |
| 1.5726 | RDKit | |
| Molar Refractivity | 57.217600000000054 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 204.172544628 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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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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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MW = 204.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H24O3.
