Name | Salicylicacidisobutylester |
Synonyms | FEMA 2213 Isobuty Salicylate Isobutyl Salicylate ISOBUTYL SALICYLATE 2-Isobutoxycarbonylphenol 2-methylpropyl salicylate Salicylicacidisobutylester ISOBUTYL 2-HYDROXYBENZOATE ISOBUTYL O-HYDROXYBENZOATE Salicylic acid isobutyl ester 2-methylpropyl 2-hydroxybenzoate 2-HYDROXYBENZOIC ACID ISOBUTYL ESTER 2-hydroxy-benzoicaci2-methylpropylester |
CAS | 87-19-4 |
EINECS | 201-729-9 |
InChI | InChI=1/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3 |
Molecular Formula | C11H14O3 |
Molar Mass | 194.23 |
Density | 1.064g/mLat 25°C(lit.) |
Melting Point | 5.9°C |
Boling Point | 267°C(lit.) |
Flash Point | 230°F |
JECFA Number | 902 |
Water Solubility | 19.5mg/L at 20℃ |
Vapor Presure | 5Pa at 20℃ |
Appearance | clear liquid |
Color | Colorless to Almost colorless |
pKa | 8.11±0.30(Predicted) |
Refractive Index | n20/D 1.509(lit.) |
Physical and Chemical Properties | Colorless to light yellow liquid. A delicate clove and orchid aroma, sweet. Boiling point 260 °c. Melting Point -5.9 °c, flash point 121 °c. Soluble in ethanol, most non-volatile oils and mineral oils, a few insoluble in propylene glycol, insoluble in glycerol and water. |
Use | For daily chemical essence, food essence |
Hazard Symbols | Xn - Harmful |
Risk Codes | 22 - Harmful if swallowed |
Safety Description | 36 - Wear suitable protective clothing. |
WGK Germany | 3 |
RTECS | VO4320000 |
Toxicity | The acute oral LD50 value in rats was reported as 1.56 g/kg (1.32-1.80 g/kg) and the acute dermal LD50 value in rabbits as > 5 g/kg |
FEMA | 2213 | ISOBUTYL SALICYLATE |
LogP | 4.09 at 21.9℃ |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
assay | was determined by method one in the ester determination method (OT-18). The amount of the sample was 1.3g. Reflux 2H. The titration time was changed to phenol red test solution (TS-166) as an indicator. The equivalence factor (e) in the calculation is taken as 97.12. Or according to Gas chromatography (GT-10-4) non-polar column method. |
toxicity | GRAS(FEMA). LD50 1560 mg/kg (rat, oral). |
usage limit | FEMA(mg/kg): Soft drink 0.5; Cold drink 1.8; Candy 2.6; Baked goods 5.0. Moderate limits (FDA § 172.515,2000). |
Use | GB 2760 96 specifies the permitted use of flavorants. Mainly used for beer and a variety of fruit flavor (minimal amount). used for daily chemical essence and food essence |
production method | is obtained by esterification of isobutanol with salicylic acid. |