| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | methyl (Z)-oct-5-enoate |
| InChI : | InChI=1/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h4-5H,3,6-8H2,1-2H3/b5-4- |
| InChIKey : | TUHAYWWWVLJJJM-PLNGDYQABB |
| SMILES : | CC\C=C/CCCC(=O)OC |
| cas number : | 41654-15-3 |
| fema number : | 4165 |
| jecfa number : | 1630 |
| fl. number : | 09.934 |
| molar refractivity : | 45.57 ± 0.3 cm3 |
| parachor : | 402.1 ± 4.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.896 ± 0.06 g/cm3 |
| polarizability : | 18.06 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 156.2221400 |
| formula : | C9 H16 O2 |
|
|
| |
| |
| export tariff code : | unspecified |
| fda reg : | unspecified |
| |
organoleptics :
|
odor description :
| dairy coconut |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92100 to 0.92500 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.664 to 7.697
|
| refractive index : | 1.42900 to 1.43500 @ 20.00 °C.
|
| boiling point : | 184.00 to 185.00 °C. @ 760.00 mm Hg
|
| logp : | 2.97 |
safety :
|
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 3.70 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 820 (μg/person/day) |
| Threshold of concern : | 1800 (μg/person/day) |
| flash point ( Deg. F. ) : | 164.00 °F. TCC ( 73.33 °C. )
|
| recommendation for methyl (Z)-5-octenoate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
|
| 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 : 22. |
| 4165 | average usual ppm | average maximum ppm |
| baked goods : | 0.50000 | 0.60000 |
| beverages(nonalcoholic) : | 0.20000 | 0.20000 |
| beverages(alcoholic) : | 0.20000 | 0.20000 |
| breakfast cereal : | 0.50000 | 0.60000 |
| cheese : | 0.50000 | 0.60000 |
| chewing gum : | 5.00000 | 6.30000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 0.50000 | 0.60000 |
| egg products : | - | - |
| fats / oils : | 1.00000 | 1.30000 |
| fish products : | - | - |
| frozen dairy : | 0.50000 | 0.60000 |
| fruit ices : | 0.30000 | 0.30000 |
| gelatins / puddings : | 0.50000 | 0.60000 |
| granulated sugar : | 0.30000 | 0.30000 |
| gravies : | - | - |
| hard candy : | 1.00000 | 1.30000 |
| imitation dairy : | 0.30000 | 0.30000 |
| instant coffee / tea : | 0.20000 | 0.20000 |
| jams / jellies : | 0.50000 | 0.60000 |
| meat products : | - | - |
| milk products : | 0.50000 | 0.60000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.30000 | 0.30000 |
| snack foods : | - | - |
| soft candy : | 0.50000 | 0.60000 |
| soups : | 0.30000 | 0.30000 |
| sugar substitutes : | - | - |
| sweet sauces : | 0.30000 | 0.30000 |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i). |
| Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0) : | 1.00000 | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | 2.00000 | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) : | 1.00000 | 2.00000 |
| Processed fruit (04.1) : | 0.50000 | 1.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : | 0.50000 | 1.00000 |
| Confectionery (05.0) : | 1.00000 | 3.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : | 2.00000 | 5.00000 |
| Bakery wares (07.0) : | 5.00000 | 10.00000 |
| Meat and meat products, including poultry and game (08.0) : | 5.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 5.00000 | 10.00000 |
| Eggs and egg products (10.0) : | - | - |
| Sweeteners, including honey (11.0) : | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : | 1.00000 | 3.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) : | 1.00000 | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : | 0.20000 | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | 0.20000 | 2.00000 |
| Ready-to-eat savouries (15.0) : | 2.00000 | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : | 1.00000 | 5.00000 |
safety links :
|
| |
| |
| chemidplus : | 41654-15-3 |
| EPA Substance Registry Services : | 41654-15-3 |
| NLM Chemical Carcinogenesis Research Information System : | 41654-15-3 |
| NLM Developmental and Reproductive Toxicity : | 41654-15-3 |
| NLM Env. Mutagen Info. Center : | 41654-15-3 |
| NLM GENetic TOXicology : | 41654-15-3 |
| EPI System : | view |
other :
|
references :
|
| jecfa number : | 1630 |
| fl. number : | 09.934 |
| pubchem : | 43526501 |