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| IUPAC name : | 1-methylcyclohexa-1,3-diene |
| InChI : | InChI=1/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3 |
| InChIKey : | QMFJIJFIHIDENY-UHFFFAOYAA |
| SMILES : | CC1=CC=CCC1 |
| (EINECS) number : | 250-269-5 |
| cas number : | 30640-46-1 |
| fema number : | 4311 |
| coe number : | 11797 |
| fl. number : | 01.025 |
| molar refractivity : | 31.58 ± 0.3 cm3 |
| parachor : | 252.2 ± 6.0 cm3 |
| index of refraction : | 1.480 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.848 ± 0.06 g/cm3 |
| polarizability : | 12.52 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 94.1543000 |
| formula : | C7 H10 |
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| IUPAC name : | 3-methylidenecyclohexene |
| InChI : | InChI=1/C7H10/c1-7-5-3-2-4-6-7/h3,5H,1-2,4,6H2 |
| InChIKey : | XVKFDCVTYBMNRZ-UHFFFAOYAP |
| SMILES : | C=C1CCCC=C1 |
| cas number : | 1888-90-0 |
| fema number : | 4311 |
| molar refractivity : | 31.85 ± 0.4 cm3 |
| parachor : | 253.7 ± 6.0 cm3 |
| index of refraction : | 1.472 ± 0.03 |
| surface tension : | 24.8 ± 5.0 dyne/cm |
| density : | 0.82 ± 0.1 g/cm3 |
| polarizability : | 12.62 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 94.1543000 |
| formula : | C7 H10 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | powerful lemon lime |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83000 - 0.83700 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.906 to 6.965
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| refractive index : | 1.47400 - 1.48400 @ 20.00 °C.
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| boiling point : | 105.00 °C. @ 760.00 mm Hg
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| logp : | 3.06 |
| 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. ) : | 60.00 °F. TCC ( 15.56 °C. )
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| recommendation for lemon hexadiene usage levels up to : |
| | 8.0000 % 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. |
| 4311 | average usual ppm | average maximum ppm |
| baked goods : | 0.00250 | 1.00000 |
| beverages(nonalcoholic) : | 0.00250 | 1.00000 |
| beverages(alcoholic) : | 0.00250 | 2.00000 |
| breakfast cereal : | 0.00010 | 1.00000 |
| cheese : | - | 1.00000 |
| chewing gum : | 0.00010 | 1.00000 |
| condiments / relishes : | - | 2.00000 |
| confectionery froastings : | 0.10000 | 1.00000 |
| egg products : | - | 1.00000 |
| fats / oils : | 0.10000 | 2.00000 |
| fish products : | - | 1.00000 |
| frozen dairy : | - | 1.00000 |
| fruit ices : | 0.10000 | 2.00000 |
| gelatins / puddings : | - | 1.00000 |
| granulated sugar : | - | 1.00000 |
| gravies : | - | 1.00000 |
| hard candy : | 0.10000 | 2.00000 |
| imitation dairy : | - | 1.00000 |
| instant coffee / tea : | - | 1.00000 |
| jams / jellies : | 0.10000 | 1.00000 |
| meat products : | - | 1.00000 |
| milk products : | - | 1.00000 |
| nut products : | - | 1.00000 |
| other grains : | - | 1.00000 |
| poultry : | - | 1.00000 |
| processed fruits : | 0.10000 | 1.00000 |
| processed vegetables : | - | 1.00000 |
| reconstituted vegetables : | - | 1.00000 |
| seasonings / flavors : | 0.10000 | 1.00000 |
| snack foods : | 0.10000 | 1.00000 |
| soft candy : | 0.10000 | 2.00000 |
| soups : | - | 1.00000 |
| sugar substitutes : | - | 1.00000 |
| sweet sauces : | - | 1.00000 |
| safety links : | |
| (EINECS) number : | 250-269-5 |
| chemidplus : | 030640461 |
| epa-srs : | 30640-46-1 |
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| chemidplus : | 1888-90-0 |
| epa-srs : | 1888-90-0 |
| dtp/nci : | 560 |
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| other : | |
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| references : | |
| fl. number : | 01.025 |
| pubchem : | 698230 |
| NIST Chemistry WebBook : | 962494046 |
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| pubchem : | 10511840 |
| NIST Chemistry WebBook : | 2376004770 |
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