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| IUPAC name : | 2,6-dimethoxy-4-methylphenol |
| InChI : | InChI=1/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3 |
| InChIKey : | ZFBNNSOJNZBLLS-UHFFFAOYAO |
| SMILES : | CC1=CC(=C(C(=C1)OC)O)OC |
| (EINECS) number : | 229-641-6 |
| cas number : | 6638-05-7 |
| fema number : | 3704 |
| jecfa number : | 722 |
| fl. number : | 04.053 |
| molar refractivity : | 46.31 ± 0.3 cm3 |
| parachor : | 373.2 ± 4.0 cm3 |
| index of refraction : | 1.520 ± 0.02 |
| surface tension : | 36.2 ± 3.0 dyne/cm |
| density : | 1.105 ± 0.06 g/cm3 |
| polarizability : | 18.36 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 168.1897800 |
| formula : | C9 H12 O3 |
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| export tariff code : | 2909.5 |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | 4-Methyl-2,6-dimethoxyphenol
≥97% |
organoleptics :
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| odor type : | phenolic |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | phenolic smoke medicinal woody spice eugenol root caramel |
properties :
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| appearence : | yellow to orange solid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 37.00 to 42.00 °C. @ 760.00 mm Hg
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| boiling point : | 145.00 to 146.00 °C. @ 14.00 mm Hg
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| logp : | 1.23 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for 4-methyl-2,6-dimethoxyphenol usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for 4-methyl-2,6-dimethoxyphenol usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
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| | 2,6-dimethoxy-4-methylphenol
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| (EINECS) number : | 229-641-6 |
| chemidplus : | 006638057 |
| EPA Substance Registry Services : | 6638-05-7 |
| NLM Chemical Carcinogenesis Research Information System : | 6638-05-7 |
| NLM Developmental and Reproductive Toxicity : | 6638-05-7 |
| NLM Env. Mutagen Info. Center : | 6638-05-7 |
| NLM GENetic TOXicology : | 6638-05-7 |
| dtp/nci : | 47901 |
references :
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| | 2,6-dimethoxy-4-methylphenol
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| jecfa number : | 722 |
| fl. number : | 04.053 |
| pubchem : | 204113 |
| NIST Chemistry WebBook : | 664894646 |
other :
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