Hexyl salicylate is an organic compound with the formula C13H18O3. It is a colorless liquid with a floral, fruity odor. It is used as a fragrance ingredient in perfumes, cosmetics, and soaps. It is also used as a plasticizer in plastics. Hexyl salicylate is synthesized by reacting hexyl alcohol with salicylic acid. The reaction is typically carried out in the presence of a catalyst, such as sulfuric acid. Hexyl salicylate has been shown to have some pharmacological activity, including anti-inflammatory and analgesic effects. However, it is not used clinically for these purposes. Hexyl salicylate is a relatively safe compound. It is not known to be carcinogenic, mutagenic, or teratogenic. However, it can cause skin irritation in some individuals. Hexyl salicylate is an important ingredient in many consumer products, and it is therefore studied extensively to ensure its safety and efficacy.'
hexyl salicylate: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 22629 |
| CHEMBL ID | 495972 |
| CHEBI ID | 88836 |
| SCHEMBL ID | 113059 |
| MeSH ID | M0518360 |
| Synonym |
|---|
| BIDD:ER0589 |
| benzoic acid, 2-hydroxy-, hexyl ester |
| n-hexyl salicylate |
| hexyl salicylate |
| hexyl 2-hydroxybenzoate |
| einecs 228-408-6 |
| ai3-07842 |
| 1-hexyl salicylate |
| hexyl salicylate, >98% |
| 6259-76-3 |
| hexyl salicylate, >=99.0% (gc) |
| chebi:88836 , |
| CHEMBL495972 |
| A833874 |
| dtxcid601473521 |
| cas-6259-76-3 |
| tox21_301381 |
| dtxsid4038924 , |
| NCGC00255567-01 |
| ec 228-408-6 |
| 8f78ey72yl , |
| salicylic acid, hexyl ester |
| unii-8f78ey72yl |
| FT-0627056 |
| hexyl salicylate [inci] |
| salicyl acid, n-hexyl ester |
| AKOS015902848 |
| SCHEMBL113059 |
| n-hexyl 2-hydroxybenzoate |
| hexylsalicylate |
| DUKPKQFHJQGTGU-UHFFFAOYSA-N |
| benzoic acid, hydroxy-, hexyl ester |
| F0001-1680 |
| hexyl salicylate, analytical reference material |
| hexyl salicylic acid |
| hexyl 2-hydroxybenzoic acid |
| Q27160824 |
| hexylsalicylat |
| F20692 |
| mfcd00036487 |
| BS-17349 |
| salicylic acid-hexyl ester |
| salicylic acid, hexyl ester (6ci,7ci,8ci); 1-hexyl salicylate; hexyl 2-hydroxybenzoate; hexyl salicylate; n-hexyl salicylate |
| CS-W014237 |
| Product Category | Products |
|---|---|
| Beauty & Personal Care | 4 |
| Class | Description |
|---|---|
| benzoate ester | Esters of benzoic acid or substituted benzoic acids. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Luciferase | Photinus pyralis (common eastern firefly) | Potency | 17.8293 | 0.0072 | 15.7588 | 89.3584 | AID1224835 |
| AR protein | Homo sapiens (human) | Potency | 61.6448 | 0.0002 | 21.2231 | 8,912.5098 | AID743036 |
| progesterone receptor | Homo sapiens (human) | Potency | 52.2038 | 0.0004 | 17.9460 | 75.1148 | AID1346784; AID1346795 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 19.7964 | 0.0030 | 41.6115 | 22,387.1992 | AID1159552; AID1159555 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 43.2771 | 0.0016 | 28.0151 | 77.1139 | AID1224843 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID348953 | Antibacterial activity against Escherichia coli ATCC 9637 up to 200 ug/ml after 2 days by twofold broth dilution method | 2008 | European journal of medicinal chemistry, Jun, Volume: 43, Issue:6 | Design and evaluation of anacardic acid derivatives as anticavity agents. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 2 (33.33) | 29.6817 |
| 2010's | 3 (50.00) | 24.3611 |
| 2020's | 1 (16.67) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be strong demand-to-supply ratio for research on this compound.
| This Compound (45.52) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (16.67%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (83.33%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||