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| IUPAC name : | (2-hexyl-1,3-dioxolan-4-yl)methanol |
| InChI : | InChI=1/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3 |
| InChIKey : | TYRXGKKCQUIWGI-UHFFFAOYAE |
| SMILES : | CCCCCCC1OCC(O1)CO |
| (EINECS) number : | 216-960-0 |
| cas number : | 1708-35-6 |
| beilstein number : | 0108185 |
| fema number : | 2542 |
| coe number : | 2016 |
| jecfa number : | 912 |
| molar refractivity : | 51.13 ± 0.3 cm3 |
| parachor : | 473.6 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 36.3 ± 3.0 dyne/cm |
| density : | 0.975 ± 0.06 g/cm3 |
| polarizability : | 20.27 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 188.2640000 |
| formula : | C10 H20 O3 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | earthy |
| odor strength : | medium |
odor description : at 100.00 %. | earthy fungal sweet |
properties :
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| appearence : | colorless clear viscous liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99000 to 1.00300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.238 to 8.346
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| refractive index : | 1.44500 to 1.45500 @ 20.00 °C.
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| boiling point : | 271.00 to 272.00 °C. @ 760.00 mm Hg
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| boiling point : | 100.00 °C. @ 4.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.18 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 270.00 °F. TCC ( 132.22 °C. )
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| recommendation for heptanal glyceryl acetal usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for heptanal glyceryl acetal usage levels up to : |
| | 100.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
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| | (2-hexyl-1,3-dioxolan-4-yl)methanol
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| (EINECS) number : | 216-960-0 |
| chemidplus : | 001708356 |
| EPA Substance Registry Services : | 1708-35-6 |
| NLM Chemical Carcinogenesis Research Information System : | 1708-35-6 |
| NLM Developmental and Reproductive Toxicity : | 1708-35-6 |
| NLM Env. Mutagen Info. Center : | 1708-35-6 |
| NLM GENetic TOXicology : | 1708-35-6 |
references :
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| | (2-hexyl-1,3-dioxolan-4-yl)methanol
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| jecfa number : | 912 |
| pubchem : | 158878 |
other :
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