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| IUPAC name : | methyl (2E)-3,7-dimethylocta-2,6-dienoate |
| InChI : | InChI=1/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+ |
| InChIKey : | ACOBBFVLNKYODD-CSKARUKUBD |
| SMILES : | CC(=CCC/C(=C/C(=O)OC)/C)C |
| (EINECS) number : | 214-712-6 |
| cas number : | 1189-09-9 |
| coe number : | 10797 |
| fl. number : | 09.643 |
| molar refractivity : | 54.58 ± 0.3 cm3 |
| parachor : | 461.3 ± 4.0 cm3 |
| index of refraction : | 1.457 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.909 ± 0.06 g/cm3 |
| polarizability : | 21.63 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 182.2594200 |
| formula : | C11 H18 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | waxy |
| odor strength : | medium |
odor description :
at 100.00 %. | waxy green fruity flower |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 92.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91700 - 0.92700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.630 to 7.714
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| refractive index : | 1.46400 - 1.47400 @ 20.00 °C.
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| boiling point : | 72.00 °C. @ 0.30 mm Hg
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| boiling point : | 247.00 - 248.00 °C. @ 760.00 mm Hg
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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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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.95 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 2104 (μg/person/day) |
| Threshold of concern : | 1800 (μg/person/day) |
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| flash point ( Deg. F. ) : | 210.00 °F. TCC ( 98.89 °C. )
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| recommendation for (E)-methyl geranate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a) |
| | Normal Use Level (mg/kg) | Maximum Use Level (mg/kg) |
| Dairy products, excluding products of category 02.0 (01.0) : | 7.00000 | 35.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | 5.00000 | 25.00000 |
| Edible ices, including sherbet and sorbet (03.0) : | 10.00000 | 50.00000 |
| Processed fruit (04.1) : | 7.00000 | 35.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : | - | - |
| Confectionery (05.0) : | 10.00000 | 50.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : | 5.00000 | 25.00000 |
| Bakery wares (07.0) : | 10.00000 | 50.00000 |
| Meat and meat products, including poultry and game (08.0) : | 2.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 2.00000 | 10.00000 |
| Eggs and egg products (10.0) : | - | - |
| Sweeteners, including honey (11.0) : | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : | 5.00000 | 25.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) : | 10.00000 | 50.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : | - | - |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | - | - |
| Ready-to-eat savouries (15.0) : | 20.00000 | 100.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : | 5.00000 | 25.00000 |
| safety links : | |
| (EINECS) number : | 214-712-6 |
| chemidplus : | 001189099 |
| epa-srs : | 1189-09-9 |
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| other : | |
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| references : | |
| fl. number : | 09.643 |
| pubchem : | 213092 |
| NIST Chemistry WebBook : | 1963204546 |
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