ortho-anisyl benzoate
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
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| CAS Number: |
64421-25-6
|
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
ortho-anisyl benzoate |
| InChI : |
InChI=1/C15H14O3/c1-17-14-10-6-5-9-13(14)11-18-15(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| Std.InChI: |
InChI=1S/C15H14O3/c1-17-14-10-6-5-9-13(14)11-18-15(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChIKey : |
BZUHSQFJABFAHL-UHFFFAOYAU |
| Std.InChIKey: |
BZUHSQFJABFAHL-UHFFFAOYSA-N |
| SMILES : |
COC1=CC=CC=C1COC(=O)C2=CC=CC=C2 |
| Molar Refractivity : |
69.19 ± 0.3 cm3 (est) |
| Parachor : |
540.9 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.566 ± 0.02 (est) |
| Surface Tension : |
42.3 ± 3.0 dyne/cm (est) |
| Density : |
1.142 ± 0.06 g/cm3 (est) |
| Polarizability : |
27.42 ± 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: | 354.00 to 355.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000034 mmHg @ 25.00 °C. (est) |
| Flash Point: | 298.00 °F. TCC ( 147.50 °C. ) (est) |
| logP (o/w): | 3.882 (est) |
| Soluble in: |
| | alcohol |
| | water, 21.27 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:
| Category: |
| information only not used for fragrances or flavors |
| Recommendation for ortho-anisyl benzoate usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for ortho-anisyl benzoate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| o- | anisyl benzoate |
| | benzenemethanol, 2-methoxy-, benzoate |
| 2- | methoxybenzene methanol benzoate |
| 2- | methoxybenzenemethanol benzoate |
| 2- | methoxybenzyl benzoate |
| o- | methoxybenzyl benzoate |
| ortho- | methoxybenzyl benzoate |
| (2- | methoxyphenyl)methyl benzoate |
