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| IUPAC name : | 3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane |
| InChI : | InChI=1/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3 |
| InChIKey : | LXKCTPBHCJDSKC-UHFFFAOYAN |
| SMILES : | CC(C)CCOC(C)OCCC(C)C |
| (EINECS) number : | 235-839-3 |
| cas number : | 13002-09-0 |
| fema number : | 4024 |
| coe number : | 10028 |
| jecfa number : | 1729 |
| fl. number : | 06.055 |
| molar refractivity : | 61.00 ± 0.3 cm3 |
| parachor : | 541.0 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 25.6 ± 3.0 dyne/cm |
| density : | 0.841 ± 0.06 g/cm3 |
| polarizability : | 24.18 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 202.3336400 |
| formula : | C12 H26 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | alcoholic fruity ethereal green |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.82200 - 0.83200 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.848 to 6.931
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| refractive index : | 1.41000 - 1.41800 @ 20.00 °C.
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| boiling point : | 210.00 - 213.00 °C. @ 760.00 mm Hg
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| boiling point : | 70.00 °C. @ 2.50 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.97 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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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. ) : | 192.00 °F. TCC ( 88.89 °C. )
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| recommendation for acetaldehyde diisoamyl 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 : 21. |
| 4024 | average usual ppm | average maximum ppm |
| baked goods : | 25.00000 | 50.00000 |
| beverages(nonalcoholic) : | 10.00000 | 20.00000 |
| beverages(alcoholic) : | 10.00000 | 20.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | 10.00000 | 20.00000 |
| frozen dairy : | 15.00000 | 30.00000 |
| fruit ices : | 10.00000 | 20.00000 |
| gelatins / puddings : | 15.00000 | 30.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 40.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 10.00000 | 20.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 10.00000 | 20.00000 |
| snack foods : | 10.00000 | 20.00000 |
| soft candy : | 15.00000 | 30.00000 |
| soups : | 15.00000 | 30.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 235-839-3 |
| toxnet : | 13002-09-0 |
| epa-srs : | 13002-09-0 |
| pubchem : | 13002-09-0 |
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| other : | |
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| references : | |