benzyle salicylate
2-Hydroxybenzoic acid phenylmethyl ester
CAS: 118-58-1
Molecular Formula: C14H12O3
benzyle salicylate - Names and Identifiers
| Name | 2-Hydroxybenzoic acid phenylmethyl ester |
| Synonyms | benzyl FEMA 2151 hydroxybenzoate Benzylsalicylat BENZYL SALICYLATE benzyle salicylate SALICILATO DE BENCILO benzylhydroxybenzoate BENZYL O-HYDROXYBENZOATE BENZYL 2-HYDROXYBENZOATE SALICYLIC ACID BENZYL ESTER Salicyclic acid benzyl ester BENZYL ORTHO HYDROXY BENZOATE 2-HYDROXYBENZOIC ACID BENZYL ESTER Benzoic acid, 2-hydroxy-, phenylme 2-hydroxy-benzoicaciphenylmethylester 2-Hydroxybenzoic acid phenylmethyl ester Benzoicacid,2-hydroxy-,phenylmethylester Benzoic acid, 2-hydroxy, phenyl methyl ester SALICYLIC ACID BENZYL ESTER, SECONDARY STANDARD |
| CAS | 118-58-1 |
| EINECS | 204-262-9 |
| InChI | InChI=1/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2 |
| InChIKey | ZCTQGTTXIYCGGC-UHFFFAOYSA-N |
benzyle salicylate - Physico-chemical Properties
| Molecular Formula | C14H12O3 |
| Molar Mass | 228.24 |
| Density | 1.176g/mLat 25°C(lit.) |
| Melting Point | 18-20 °C |
| Boling Point | 168-170°C5mm Hg(lit.) |
| Flash Point | >230°F |
| JECFA Number | 904 |
| Water Solubility | Slightly soluble |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.01Pa at 25℃ |
| Appearance | neat |
| Color | Thick colorless liquid |
| Odor | pleasant odor |
| Merck | 14,1144 |
| BRN | 2115365 |
| pKa | 8.11±0.30(Predicted) |
| Storage Condition | -20°C |
| Refractive Index | n20/D 1.581(lit.) |
| Physical and Chemical Properties | Thick liquid. Boiling point of 320 deg C, 208 deg C (3.33kPa),170 deg C (0.67kPa), the relative density of 1.1799(20/4 deg C), the refractive index of 1.5805. With ethanol, ether miscible, slightly soluble in water. Weakly sweet aroma. |
| Use | As a fragrance, especially a solvent for Nitro-Musk, a fixative for artificial musk and floral fragrance. Bactericidal preservative. |
benzyle salicylate - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S37 - Wear suitable gloves. S24 - Avoid contact with skin. |
| WGK Germany | 2 |
| RTECS | VO1750000 |
| TSCA | Yes |
| HS Code | 29182900 |
| Toxicity | LD50 orl-rat: 2227 mg/kg FCTXAV 11,1029,73 |
benzyle salicylate - Reference Information
| FEMA | 2151 | BENZYL SALICYLATE |
| LogP | 4 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | determined by Method 2 of the ester content determination method (OT-18). The sample was measured at 1.4G. Phenol red test solution (TS-66) was used as indicator. The equivalence factor (e) in the calculation is taken as 114.1. |
| toxicity | GRAS(FEMA). LD50 2227mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 1.4; Cold drink 0.89; Candy 1.8; baking food 0.01~2.2. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-1996 permitted use of flavorants. Mainly used for the preparation of apricot, peach, banana, raspberry flavor. as a fragrance, especially a solvent for Nitro-Musk, a fixative for artificial musk and floral fragrance. Bactericidal preservative. It is often used as a cosolvent and a good fixative for floral and non-floral flavors. Suitable for carnation, ylang ylang, Jasmine, fragrant Loran, lily of the valley, clove, late Fragrant Jade, flowers and other flavors. It can also be used in a very small amount of apricot, peach, plum, banana, pear and other edible essences. |
| production method | from the reaction of salicylic acid and benzyl alcohol. It can also be obtained by the reaction of sodium salicylate with benzyl chloride. A small amount of diethylamine was added to the mixture of sodium salicylate and a slight excess of benzyl chloride, and the reaction was heated to 130-140 ° C. For 17H. After cooling, the reactants were washed with water, and the excess of benzyl chloride was removed by steam distillation, the remaining oil was subjected to vacuum distillation and the 170-175 °c (0.93kPa) fraction was collected. Yield 85%. It is obtained from the esterification of salicylic acid with phenylethyl alcohol. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2227 mg/kg |
| explosive hazard characteristics | reaction with oxidant |
| flammability hazard characteristics | open flame, flammable when heated; Combustion-induced smoke |
| storage and transportation characteristics | ventilation and low temperature drying; Separate storage with oxidant |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:32:02
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