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Molecule
2-Ethylhexyl Salicylate
CAS: 118-60-5 · C15H22O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 118-60-5
- Molecular Formula
- C15H22O3
- Molecular Mass
- 250.34 g/mol
Identifiers
CAS Registry Number
118-60-5
SMILES
CCCCC(CC)COC(=O)c1ccccc1O
InChI Key
FMRHJJZUHUTGKE-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
Names and Synonyms
- 2-Ethylhexyl Salicylate Synonym
- Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester Synonym
- Salicylic acid, 2-ethylhexyl ester Synonym
- WMO Synonym
- Sunarome WMO Synonym
- Sunarome O Synonym
- 2-Ethylhexyl salicylate Synonym
- Octyl salicylate Synonym
- 2-Ethylhexyl o-hydroxybenzoate Synonym
- Escalol 587 Synonym
- Octisalate Synonym
- Uvinul 0-18 Synonym
- Neo Heliopan OS Synonym
- NSC 46151 Synonym
- Dermoblock OS Synonym
- Eusolex OS Synonym
- Parsol EHS Synonym
- Solarom OS Synonym
- HallBrite OS-USP Synonym
- 2-Ethylhexyl 2-hydroxybenzoate Synonym
- Ethylhexyl salicylate Synonym
- EH-OB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.34 g/mol | CAS Common Chemistry |
| 250.338 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Ethylhexyl_salicylate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CCCC)C=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FMRHJJZUHUTGKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethylhexyl salicylate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.7654000000000036 | RDKit |
| 3.7654 | RDKit | |
| 3.61 | chempirical lib | |
| Molar Refractivity | 71.69530000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 250.156894564 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 250.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H22O3.
