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| IUPAC name : | methyl benzoate |
| InChI : | InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey : | QPJVMBTYPHYUOC-UHFFFAOYAK |
| SMILES : | COC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 202-259-7 |
| cas number : | 93-58-3 |
| fema number : | 2683 |
| coe number : | 260 |
| jecfa number : | 851 |
| fl. number : | 09.725 |
| molar refractivity : | 38.02 ± 0.3 cm3 |
| parachor : | 312.1 ± 4.0 cm3 |
| index of refraction : | 1.509 ± 0.02 |
| surface tension : | 36.1 ± 3.0 dyne/cm |
| density : | 1.069 ± 0.06 g/cm3 |
| polarizability : | 15.07 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 136.1479200 |
| formula : | C8 H8 O2 |
| BioActivity Analysis : | 74890 |
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| fda reg : | 172.515 |
h. number : | 2916.31.20 |
| organoleptics : | |
| odor type : | phenolic |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | phenolic wintergreen almond floral cananga |
| taste description³ : | at 30.00 ppm. Phenolic and cherry pit with a camphoraceous nuance |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.08500 - 1.08800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.028 to 9.053
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| refractive index : | 1.51600 - 1.51800 @ 20.00 °C.
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| melting point : | -13.00 - -12.00 °C. @ 760.00 mm Hg
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| boiling point : | 198.00 - 199.00 °C. @ 760.00 mm Hg
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| boiling point : | 112.00 - 113.00 °C. @ 50.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.12 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1177.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 181.00 °F. TCC ( 82.78 °C. )
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| limits in the finished product for - "leave on the skin contact" : |
| | 0.5000 % Recommendation.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.5000 % Recommendation.
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| limits in the finished product for - "no skin contact" : |
| | 4.0000 % Recommendation.
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| recommendation for methyl benzoate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for methyl benzoate usage levels up to : |
| | 60.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 202-259-7 |
| rtecs : | DH3850000 for 93-58-3 |
| chemidplus : | 000093583 |
| epa-srs : | 93-58-3 |
| dtp/nci : | 9394 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 150188 |
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| reference : | Mosciano, Gerard P&F 19, No. 5, 79, (1994)³ |