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| IUPAC name : | methyl (Z)-octadec-9-enoate |
| InChI : | InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10- |
| InChIKey : | QYDYPVFESGNLHU-KHPPLWFEBA |
| SMILES : | CCCCCCCC\C=C/CCCCCCCC(=O)OC |
| (EINECS) number : | 203-992-5 |
| cas number : | 112-62-9 |
| coe number : | 10836 |
| fl. number : | 09.652 |
| molar refractivity : | 91.90 ± 0.3 cm3 |
| parachor : | 800.0 ± 4.0 cm3 |
| index of refraction : | 1.454 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.873 ± 0.06 g/cm3 |
| polarizability : | 36.43 ± 0.5 10-24cm3 |
| xlogp : | 6.80 |
| molecular weight : | 296.4879400 |
| formula : | C19 H36 O2 |
| BioActivity Analysis : | 476201 |
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| export tariff code : | 2916.15.5000 |
| fda reg : | unspecified |
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organoleptics :
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properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87600 to 0.88200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.289 to 7.339
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| refractive index : | 1.44800 to 1.45400 @ 20.00 °C.
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| boiling point : | 351.00 to 353.00 °C. @ 760.00 mm Hg
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| logp : | 7.45 |
safety :
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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-EU) : | 1.20 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 3900 (μg/person/day) |
| Threshold of concern : | 1800 (μg/person/day) |
| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| 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) : | 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) : | 5.00000 | 25.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 5.00000 | 25.00000 |
| 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) : | 5.00000 | 25.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | 10.00000 | 50.00000 |
| 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 :
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| (EINECS) number : | 203-992-5 |
| RTECS : | RK0895000 for 112-62-9 |
| chemidplus : | 000112629 |
| EPA Substance Registry Services : | 112-62-9 |
| NLM Chemical Carcinogenesis Research Information System : | 112-62-9 |
| NLM Developmental and Reproductive Toxicity : | 112-62-9 |
| NLM Env. Mutagen Info. Center : | 112-62-9 |
| NLM GENetic TOXicology : | 112-62-9 |
| dtp/nci : | 406282 |
| EPI System : | view |
other :
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references :
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| fl. number : | 09.652 |
| pubchem : | 151332 |
| NIST Chemistry WebBook : | 3795343926 |