3,3-diphenylpropanoate
benzyl phenylacetate
CAS: 102-16-9
Molecular Formula: C15H14O2
3,3-diphenylpropanoate - Names and Identifiers
| Name | benzyl phenylacetate |
| Synonyms | FEMA 2149 Benzyl α-toluate Benzylphenylacetat benzyl phenylacetate BENZYL PHENYLACETATE 3,3-diphenylpropanoate 3,3-diphenylpropanoic acid Phenylacetic acid benzyl ester PHENYLACETIC ACID BENZYL ESTER Acetic acid, phenyl-, benzyl ester Benzeneaceticacid,phenylmethylester |
| CAS | 102-16-9 |
| EINECS | 203-008-4 |
| InChI | InChI=1/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)/p-1 |
3,3-diphenylpropanoate - Physico-chemical Properties
| Molecular Formula | C15H14O2 |
| Molar Mass | 226.27 |
| Density | 1.097g/mLat 25°C(lit.) |
| Melting Point | 51-52 °C |
| Boling Point | 317-319°C(lit.) |
| Flash Point | 200°F |
| JECFA Number | 849 |
| Water Solubility | 18.53mg/L at 25℃ |
| Vapor Presure | 0.015Pa at 25℃ |
| Appearance | neat |
| Color | Colorless to Almost colorless |
| Refractive Index | n20/D 1.555(lit.) |
| Physical and Chemical Properties | Colorless liquid, with aromatic sweet aroma of jasmine, fragrant like honey. Boiling Point 317 °c, flash point> 100 °c. Miscible in ethanol, chloroform and ether. |
3,3-diphenylpropanoate - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3082 9 / PGIII |
| WGK Germany | 2 |
| HS Code | 29163990 |
| Toxicity | The acute oral LD50 was reported as > 5000 mg/kg in the rat. The acute dermal LD50 was reported as > 10 ml/kg in the rabbit |
3,3-diphenylpropanoate - Reference Information
| FEMA | 2149 | BENZYL PHENYLACETATE |
| LogP | 3.478 at 25℃ |
| 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 method for determination of ester content (OT-6). The amount of the sample was 1.5g. The equivalence factor (e) in the calculation is taken as 113.1. Or according to the GT-10-4 non-polar column method. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg); Soft drink 1.3; Cold drink 2.6; Candy 6.6; Baked goods 4.3; ornamental material 5.0. Moderate limit (FDA § 172.515,2000). |
| Use | GB 2760-1996 specifies the permitted use of flavorants. Mainly used in the preparation of honey, caramel, cream and other types of flavor. |
| production method | consists of benzyl alcohol and phenylacetate. |
Last Update：2024-04-09 15:16:45
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View History
3,3-diphenylpropanoate
IFLAB-BB F3083-0333
1,4-Diazacyclohexane
4-BENZYL-MORPHOLINE-2-CARBOXYLIC ACID
sodium tetrachloroaluminate(1-)
4-(4-AMINOPHENOXY)PYRIDINE
4-溴-2-氟苯甲酸(2-氟-4-溴苯甲酸)
IFLAB-BB F3083-0333
1,4-Diazacyclohexane
4-BENZYL-MORPHOLINE-2-CARBOXYLIC ACID
sodium tetrachloroaluminate(1-)
4-(4-AMINOPHENOXY)PYRIDINE
4-溴-2-氟苯甲酸(2-氟-4-溴苯甲酸)