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| IUPAC name : | 7-methoxychromen-2-one |
| InChI : | InChI=1/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 |
| InChIKey : | LIIALPBMIOVAHH-UHFFFAOYAW |
| SMILES : | COC1=CC2=C(C=C1)C=CC(=O)O2 |
| (EINECS) number : | 208-513-3 |
| cas number : | 531-59-9 |
| beilstein number : | 0141728 |
| molar refractivity : | 46.44 ± 0.3 cm3 |
| parachor : | 364.2 ± 6.0 cm3 |
| index of refraction : | 1.572 ± 0.02 |
| surface tension : | 44.4 ± 3.0 dyne/cm |
| density : | 1.248 ± 0.06 g/cm3 |
| polarizability : | 18.41 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 176.1687200 |
| formula : | C10 H8 O3 |
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| fda reg : | unspecified |
h. number : | 2932.29.6000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | balsam sweet |
| properties : | |
| appearence : | white to pale yellow powder |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 117.00 - 121.00 °C. @ 760.00 mm Hg
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| boiling point : | 334.00 - 335.00 °C. @ 760.00 mm Hg
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| logp : | 1.59 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 4300.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Guineapig >5.00 gm/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| IFRA critical Effect : | Photoallergy |
| recommendation for 7-methoxycoumarin usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| safety links : | |
| (EINECS) number : | 208-513-3 |
| rtecs : | DJ3100380 for 531-59-9 |
| chemidplus : | 000531599 |
| epa-srs : | 531-59-9 |
| dtp/nci : | 404559 |
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| ifra : | ifra - ( Found under : 7-Methoxycoumarin ) |
| other : | |
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| references : | |
| pubchem : | 154052 |
| NIST Chemistry WebBook : | 2954294916 |
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