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| IUPAC name : | 2,6-dimethylphenol |
| InChI : | InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 |
| InChIKey : | NXXYKOUNUYWIHA-UHFFFAOYAM |
| SMILES : | CC1=C(C(=CC=C1)C)O |
| (EINECS) number : | 209-400-1 |
| eu annex : | 604-006-00-X |
| cas number : | 576-26-1 |
| beilstein number : | 1446677 |
| fema number : | 3249 |
| coe number : | 11261 |
| jecfa number : | 707 |
| fl. number : | 04.042 |
| molar refractivity : | 37.78 ± 0.3 cm3 |
| parachor : | 297.5 ± 4.0 cm3 |
| index of refraction : | 1.540 ± 0.02 |
| surface tension : | 37.2 ± 3.0 dyne/cm |
| density : | 1.014 ± 0.06 g/cm3 |
| polarizability : | 14.97 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 122.1644000 |
| formula : | C8 H10 O |
| BioActivity Analysis : | 68809 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | 2,6-Xylenol |
| | ≥99% |
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organoleptics :
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| odor type : | medicinal |
| odor strength : | medium ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | sweet medicinal phenolic rooty coffee |
properties :
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| appearence : | white to yellowish orange solid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 45.00 - 47.00 °C. @ 760.00 mm Hg
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| boiling point : | 201.00 - 203.00 °C. @ 760.00 mm Hg
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| logp : | 2.36 |
safety :
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| most important hazard(s) : |
T N - Toxic, Dangerous for the environment. |
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| Oral Toxicity(LD50) : |
Oral-Rat 296.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 1.00 gm/kg
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| flash point ( Deg. F. ) : | 173.00 °F. TCC ( 78.33 °C. )
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| recommendation for 2,6-xylenol usage levels up to : | | | not for fragrance use.
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safety links :
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| (EINECS) number : | 209-400-1 |
| rtecs : | ZE6125000 for 576-26-1 |
| chemidplus : | 000576261 |
| epa-srs : | 576-26-1 |
| dtp/nci : | 2123 |
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other :
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references :
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| jecfa number : | 707 |
| fl. number : | 04.042 |
| pubchem : | 154636 |
| NIST Chemistry WebBook : | 3812501956 |
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| synonyms : |
| 2,6- | dimethyl phenol | | 2- | hydroxy-1,3-dimethyl benzene | | 1- | hydroxy-2,6-dimethyl benzene | | 2,6- | xylenol |
| soluble in : |
| | alcohol | | | water, 6050 mg/L @ 25C |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| 2- | acetyl furan |
| 2- | acetyl pyrazine |
| 1- | allyl-2,2,7,7-tetramethyl cycloheptanol |
| | benzothiazole |
| | benzyl mercaptan |
| | buchu leaf oil |
| | butyl mercaptan |
| | caramel furanone |
| | cassis pentanone |
| | chavicol |
| | cocoa pyrazine |
| | coffee difuran |
| | coffee dione |
| | coffee pyrazine |
| | dicyclohexyl disulfide |
| | difurfuryl ether |
| | difurfuryl sulfide |
| | diisoamyl thiomalate |
| 2,3- | dimethyl pyrazine |
| 2,6- | dimethyl pyrazine |
| 2,4- | dimethyl thiazole |
| 4,5- | dimethyl-2-ethyl-3-thiazoline |
| 2,5- | dimethyl-3-thiofuroyl furan |
| | elecampane root absolute |
| | elecampane root oil |
| | ethyl 3-(furfuryl thio) propionate |
| 2- | ethyl fenchol |
| | ethyl methyl sulfide |
| S- | ethyl thioacetate |
| 2- | ethyl-3,5(6)-dimethyl pyrazine mixture |
| | filbert heptenone |
| | furfuryl alcohol |
| | furfuryl isopropyl sulfide |
| | furfuryl mercaptan |
| | furfuryl methyl ether |
| | furfuryl propionate |
| 1- | furfuryl pyrrole |
| | furfuryl thioacetate |
| S- | furfuryl thioformate |
| | furfuryl thiopropionate |
| | galbanum oil |
| 1- | hydroxy-2-butanone |
| | melilot absolute |
| | melilot oleoresin |
| | menthofuran |
| 2- | methyl 3-(methyl thio) furan 10% in triacetin |
| 2- | methyl 5-(methyl thio) furan |
| 2- | methyl butyraldehyde |
| | methyl cyclopentenolone |
| | methyl furfuryl disulfide |
| 4- | methyl guaiacol |
| 2- | methyl quinoxaline |
| 5- | methyl quinoxaline |
| 2- | methyl thio-3,5 or 6-methyl pyrazine |
| 4- | methyl-2,6-dimethoxyphenol |
| 2- | methyl-3-,5 or 6-(furfuryl thio) pyrazine |
| 2- | methyl-5-isopropyl pyrazine |
| | octyl phenyl acetate |
| 2- | propyl phenol |
| 4- | propyl phenol |
| | radish isothiocyanate |
| | rhubarb pyran |
| 2,3,5,6- | tetramethyl pyrazine |
| 2- | thienyl mercaptan |
| 2- | thiophene thiol |
| 2,4,5- | trimethyl thiazole |
| | tropical thiazole |
| | valerian root oil |
| | valerian root oil china |
| | valerian root oil CO2 extract china |
| | vetiver oil |
| | vetiver resinoid |
| | vetiverol |
| | vetiveryl acetate |
| 4- | vinyl phenol |
| | vinyl sulfurol |
| natural occurrence in : |
| coffee |
| data page | osmanthus absolute @ 0.28% |
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