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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
Names and Synonyms:
Ethylhexylglycerin
1,2-Propanediol, 3-[(2-ethylhexyl)oxy]-
3-[(2-Ethylhexyl)oxy]-1,2-propanediol
Sensiva SC 50
Glycerol α-(2-ethylhexyl) ether
Sensiva SC 50JP
Sensiva AC 50JP
Glyceryl 1-mono(2-ethylhexyl) ether
Lexgard E
MinaCare Hexcine
Adekanol GE-RF
1-(2-Ethylhexyl) glycerol ether
Ethylhexylglycerin
ethylhexylglycerine
Saskine 50
Ethylhexyl glycerin
Identifiers:
SMILES:
CCCCC(CC)COCC(O)CO
InChI:
InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3
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 | 204.31 g/mol | CAS Common Chemistry |
| 204.30999999999997 g/mol | RDKit | |
| 204.172544628 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 |
| Ethylhexylglycerin | 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 |
| Molar Refractivity | 57.217600000000054 | RDKit |
