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| IUPAC name : | 2,3-dimethylbutane-2,3-diol |
| InChI : | InChI=1/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3 |
| InChIKey : | IVDFJHOHABJVEH-UHFFFAOYAX |
| SMILES : | CC(C)(C(C)(C)O)O |
| (EINECS) number : | 200-933-5 |
| cas number : | 76-09-5 |
| beilstein number : | 1340501 |
| fl. number : | 02.143 |
| molar refractivity : | 32.84 ± 0.3 cm3 |
| parachor : | 294.5 ± 4.0 cm3 |
| index of refraction : | 1.448 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 0.963 ± 0.06 g/cm3 |
| polarizability : | 13.02 ± 0.5 10-24cm3 |
| xlogp : | 0.50 |
| molecular weight : | 118.1741600 |
| formula : | C6 H14 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | woody |
| odor strength : | medium |
odor description :
at 100.00 %. | woody earthy patchouli warm bread |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | pale yellow solid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 42.00 - 44.00 °C. @ 760.00 mm Hg
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| boiling point : | 171.00 - 172.00 °C. @ 739.00 mm Hg
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| logp : | 0.54 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 3380.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 171.00 °F. TCC ( 77.22 °C. )
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| recommendation for pinacol usage levels up to : | | | 8.0000 % in the fragrance concentrate.
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| recommendation for pinacol usage levels up to : | | | not for flavor use.
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| safety links : | |
| (EINECS) number : | 200-933-5 |
| rtecs : | EK1720000 for 76-09-5 |
| toxnet : | 76-09-5 |
| epa-srs : | 76-09-5 |
| pubchem : | 76-09-5 |
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| other : | |
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| references : | |
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| synonyms : |
| 2,3- | dimethyl butane-2,3-diol | | 2,3- | dimethyl-2,3-butane diol | | | pinacol | | | pinacone | | | tetramethyl ethylene glycol | | 1,1,2,2- | tetramethyl ethylene glycol |
| soluble in : |
| | alcohol | | | water, 35100 mg/L @ 25C |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | bread | | | earth humus | | | incense | | | patchouli | | | spice | | | woody |
| natural occurrence in : |
| | not found in nature |
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