benzyl benzoyloxybenzoate
fragrance agents
| 2D: |
 |
| 3D: |
|
| CAS Number: |
96682-10-9
|
| ECHA EC Number: |
416-680-0 |
| FDA UNII: |
AIK54GD6I2 |
| Category: |
fragrance agents |
| IUPAC Name: |
benzyl benzoyloxybenzoate |
| InChI : |
InChI=1/C21H16O4/c22-20(24-15-16-7-3-1-4-8-16)18-11-13-19(14-12-18)25-21(23)17-9-5-2-6-10-17/h1-14H,15H2 |
| Std.InChI: |
InChI=1S/C21H16O4/c22-20(24-15-16-7-3-1-4-8-16)18-11-13-19(14-12-18)25-21(23)17-9-5-2-6-10-17/h1-14H,15H2 |
| InChIKey : |
NMOYKBFAUKIKMN-UHFFFAOYAT |
| Std.InChIKey: |
NMOYKBFAUKIKMN-UHFFFAOYSA-N |
| SMILES : |
O=C(Oc1ccc(cc1)C(=O)OCc2ccccc2)c3ccccc3 |
| Molar Refractivity : |
94.15 ± 0.3 cm3 (est) |
| Parachor : |
721.6 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.610 ± 0.02
(est) |
| Surface Tension : |
49.9 ± 3.0 dyne/cm (est) |
| Density : |
1.224 ± 0.06 g/cm3 (est) |
| Polarizability : |
37.32 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 492.05 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 482.00 °F. TCC ( 249.90 °C. ) (est) |
| logP (o/w): | 5.592 (est) |
| Soluble in: |
| | water, 0.9549 mg/L @ 25 °C (est) |
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | benzoic acid, 4-(benzoyloxy)-, phenylmethyl ester |
| | benzyl 4-(benzoyloxy)benzoate |
| | benzyl 4-benzoyloxybenzoate |
| | benzyl benzoyl oxybenzoate |
| 4-[ | benzyloxycarbonyl]phenyl benzoate |
