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| CAS No.: | 87-19-4 |
|---|---|
| Name: | Isobutyl salicylate |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H14 O3 |
| Molecular Weight: | 194.23 |
| Synonyms: | Salicylicacid, isobutyl ester (6CI,7CI,8CI); 2-Isobutoxycarbonylphenol; Isobutyl2-hydroxybenzoate; Isobutyl o-hydroxybenzoate; Isobutyl salicylate; NSC 62140 |
| EINECS: | 201-729-9 |
| Density: | 1.064 |
| Melting Point: | 21.4oC |
| Boiling Point: | 267 ºC |
| Flash Point: | 110 ºC |
| Solubility: | 19.5mg/L at 20℃ |
| Hazard Symbols: |
|
| Risk Codes: | R22 |
| Safety: | Moderately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS. |
| PSA: | 46.53000 |
| LogP: | 2.20500 |
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Chemistry
Product Name: 2-Methylpropyl 2-hydroxybenzoate
Synonyms of Isobutyl salicylate (CAS NO.87-19-4) : Benzoic acid, 2-hydroxy-, 2-methylpropyl ester ; Isobutyl salicylate ; 2-Isobutoxycarbonylphenol ; 2-Methylpropyl 2-hydroxybenzoate ; Isobutyl o-hydroxybenzoate
Product Categories: Alphabetical Listings;Flavors and Fragrances;I-L
CAS NO:87-19-4
Molecular Formula:C11H14O3
Molecular Weight :194.23
Molecular Structure :
Index of Refraction:1.524
Surface Tension: 40.7 dyne/cm
Density: 1.105 g/cm3
Flash Point: 103.4 °C
Enthalpy of Vaporization: 52.2 kJ/mol
Boiling Point: 263.9 °C at 760 mmHg
Vapour Pressure: 0.00613 mmHg at 25°C
Melting point: -5.9°C
Appearance:Colorless to pale yellow liquid.
Solubility:Soluble in ethanol, the majority of non-volatile oil and mineral oil, a few do not dissolve in propylene glycol, insoluble in glycerin and water.
Uses
Isobutyl salicylate (CAS NO.87-19-4) is used for essence for household and personal care chemicals and food flavor, GB 2760 96 provide for the use of edible spices. Mainly used in beer and a variety of fruit flavor (use very little).
Production
Raw materials :2-Methyl-1-propanol-->Salicylic acid
Isobutyl salicylate (CAS NO.87-19-4) is derived by esterification reaction of Isobutanol with Salicylic acid .
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 5100mg/kg (5100mg/kg) | Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994. | |
| rabbit | LD50 | skin | > 5mg/kg (5mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 1975. | |
| rat | LD50 | oral | 1560mg/kg (1560mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 813, 1975. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS
Hazard Codes 
Xn
Risk Statements 22
R22:Harmful if swallowed.
Safety Statements 36
S36:Wear suitable protective clothing.
WGK Germany 3
RTECS VO4320000