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Basic Description
| Synonyms | 2-ETHYLHEXYL SALICYLATE | Octisalate | 118-60-5 | 2-Ethylhexyl 2-hydroxybenzoate | Ethylhexyl salicylate | Ethyl hexyl salicylate | Sunarome O | Sunarome WMO | Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester | Uvinul | Escalol | USAF DO-11 | Neo Heliopan | Salicylic acid, 2-ethylhexy |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Dry ice packs + Cold packs This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level5 Benzoic acid esters
- Level6 o-Hydroxybenzoic acid esters
- Level5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzoic acid esters |
| Direct Parent | o-Hydroxybenzoic acid esters |
| Alternative Parents | Salicylic acid and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. |
| External Descriptors | Not available |
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Associated Targets(Human)
LMNA
Tbio
Prelamin-A/C (36751 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PMP22
Tbio
Peripheral myelin protein 22 (699 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Trpa1
Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 2-ethylhexyl 2-hydroxybenzoate |
|---|---|
| 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 |
| InChIKey | FMRHJJZUHUTGKE-UHFFFAOYSA-N |
| Smiles | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| Isomeric SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| RTECS | VO3150000 |
| Molecular Weight | 250.33 |
| Beilstein | 2730664 |
| Reaxy-Rn | 2730664 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2730664&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Light Sensitive |
|---|---|
| Refractive Index | 1.502 |
| Flash Point(°F) | ＞110℃ |
| Flash Point(°C) | ＞110℃ |
| Boil Point(°C) | 189-190°C |
| Molecular Weight | 250.330 g/mol |
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 250.157 Da |
| Monoisotopic Mass | 250.157 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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