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| IUPAC name : | 2-hexyl-4-methyl-1,3-dioxolane |
| InChI : | InChI=1/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3 |
| InChIKey : | GFNFPBSXMBRHRU-UHFFFAOYAP |
| SMILES : | CCCCCCC1OCC(O1)C |
| (EINECS) number : | 224-413-2 |
| cas number : | 4351-10-4 |
| beilstein number : | 0105323 |
| fema number : | 4368 |
| jecfa number : | 1739 |
| molar refractivity : | 49.61 ± 0.3 cm3 |
| parachor : | 451.9 ± 4.0 cm3 |
| index of refraction : | 1.424 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.886 ± 0.06 g/cm3 |
| polarizability : | 19.66 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
| BioActivity Analysis : | 72531 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | green fatty |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88900 to 0.89500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.397 to 7.447
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| refractive index : | 1.42500 to 1.43000 @ 20.00 °C.
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| boiling point : | 217.00 to 218.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.92 |
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. ) : | 165.00 °F. TCC ( 73.89 °C. )
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| recommendation for heptanal cyclic propylene acetal usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 23. |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 3.00000 | 15.00000 |
| beverages(alcoholic) : | 4.00000 | 20.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | 6.00000 | 30.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 25.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | 6.00000 | 30.00000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 5.00000 | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| | 2-hexyl-4-methyl-1,3-dioxolane
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| (EINECS) number : | 224-413-2 |
| chemidplus : | 004351104 |
| EPA Substance Registry Services : | 4351-10-4 |
| NLM Chemical Carcinogenesis Research Information System : | 4351-10-4 |
| NLM Developmental and Reproductive Toxicity : | 4351-10-4 |
| NLM Env. Mutagen Info. Center : | 4351-10-4 |
| NLM GENetic TOXicology : | 4351-10-4 |
| dtp/nci : | 6566 |
references :
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| | 2-hexyl-4-methyl-1,3-dioxolane
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| jecfa number : | 1739 |
| pubchem : | 163179 |
other :
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