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| IUPAC name : | methyl 2,4-dihydroxy-3-methylbenzoate |
| InChI : | InChI=1/C9H10O4/c1-5-7(10)4-3-6(8(5)11)9(12)13-2/h3-4,10-11H,1-2H3 |
| InChIKey : | GDNUTKRFRLPQAB-UHFFFAOYAA |
| SMILES : | CC1=C(C=CC(=C1O)C(=O)OC)O |
| cas number : | 33662-58-7 |
| (EINECS) number : | 251-618-4 |
| molar refractivity : | 46.61 ± 0.3 cm3 |
| parachor : | 379.7 ± 4.0 cm3 |
| index of refraction : | 1.578 ± 0.02 |
| surface tension : | 53.4 ± 3.0 dyne/cm |
| density : | 1.296 ± 0.06 g/cm3 |
| polarizability : | 18.47 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 182.1733000 |
| formula : | C9 H10 O4 |
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| export tariff code : | 2915.13.0000 |
| fda reg : | unspecified |
organoleptics :
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| odor type : | mossy |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | oakmoss sweet seaside phenolic |
| odor sample from : | PFW Aroma Chemicals |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | white powder |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 130.00 to 132.00 °C. @ 760.00 mm Hg
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| boiling point : | 370.00 to 371.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 2.38 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for sea resorcylate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for sea resorcylate usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | methyl 2,4-dihydroxy-3-methylbenzoate
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| (EINECS) number : | 251-618-4 |
| chemidplus : | 033662587 |
| EPA Substance Registry Services : | 33662-58-7 |
references :
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| | methyl 2,4-dihydroxy-3-methylbenzoate
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| pubchem : | 695205 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |