Butyl salicylate
- CAS NO.：2052-14-4
- Empirical Formula: C11H14O3
- Molecular Weight: 194.23
- MDL number: MFCD00020038
- EINECS: 218-142-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-11 14:09:09
What is Butyl salicylate?
Chemical properties
Butyl salicylate has a rough, herbaceous, chemical odor with a trace of wintergreen.
Occurrence
Reported found in mountain papaya.
The Uses of Butyl salicylate
Butyl salicylate is used in perfume compositions as a modifier for higher esters of Salicylic acid. It produces a Fougere-like note with Coumarin and Lavandin - with or without Oakmoss - but not as attractive as the one obtainable with the Amylester. Blends well with the herbaceous oils, with Pine needle oils and related chemicals (Bornyl family), with Cedarwood producls and it gives good fixative effect along with the simple Nitromusks in low-cost perfumes.
Preparation
By direct esterification of n-butanol with salicylic acid under azeotropic conditions.
Definition
ChEBI: Butyl salicylate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.
Aroma threshold values
Detection 5 to 7 ppb; Recognition 10 ppb
Synthesis Reference(s)
Tetrahedron Letters, 37, p. 6375, 1996 DOI: 10.1016/0040-4039(96)01351-2
Properties of Butyl salicylate
| Melting point: | -5.9°C |
| Boiling point: | 268 °C (lit.) |
| Density | 1.08 g/mL at 25 °C (lit.) |
| refractive index | 1.5120 |
| FEMA | 3650 | BUTYL SALICYLATE |
| Flash point: | 134°C |
| form | liquid |
| pka | 8.15±0.30(Predicted) |
| color | Colorless to Almost colorless |
| Odor | Somewhat rough-herbaceous-chemical odor |
| Water Solubility | 2.8g/L(37 ºC) |
| JECFA Number | 901 |
| CAS DataBase Reference | 2052-14-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 2-hydroxy-, butyl ester(2052-14-4) |
| EPA Substance Registry System | Benzoic acid, 2-hydroxy-, butyl ester (2052-14-4) |
Safety information for Butyl salicylate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
Computed Descriptors for Butyl salicylate
| InChIKey | YFDUWSBGVPBWKF-UHFFFAOYSA-N |
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