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| IUPAC name : | 2-methyl-6-methylideneoct-7-en-2-ol |
| InChI : | InChI=1/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3 |
| InChIKey : | DUNCVNHORHNONW-UHFFFAOYAC |
| SMILES : | CC(C)(CCCC(=C)C=C)O |
| (EINECS) number : | 208-843-8 |
| cas number : | 543-39-5 |
| beilstein number : | 1744474 |
| fl. number : | 02.185 |
| molar refractivity : | 49.17 ± 0.3 cm3 |
| parachor : | 416.0 ± 4.0 cm3 |
| index of refraction : | 1.455 ± 0.02 |
| surface tension : | 27.8 ± 3.0 dyne/cm |
| density : | 0.851 ± 0.06 g/cm3 |
| polarizability : | 19.49 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 154.2493200 |
| formula : | C10 H18 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Myrcenol Super |
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | fresh floral lavender citrus |
| substantivity : | 28 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 48.00 - 52.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97300 - 0.98200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.096 to 8.171
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| specific gravity : | 0.97400 - 0.98300 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.114 to 8.189
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| refractive index : | 1.48000 - 1.48700 @ 20.00 °C.
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| boiling point : | 99.00 - 100.00 °C. @ 10.00 mm Hg
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| boiling point : | 224.00 - 225.00 °C. @ 760.00 mm Hg
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| logp : | 2.44 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 5300.00 mg/kg (Moreno, 1972g)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 3700 (μg/person/day) |
| Threshold of concern : | 1800 (μg/person/day) |
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| flash point ( Deg. F. ) : | 192.00 °F. TCC ( 88.89 °C. )
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| recommendation for myrcenol usage levels up to : |
| | 20.0000 % 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). 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. |
| 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) : | 5.00000 | 25.00000 |
| 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 :
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| (EINECS) number : | 208-843-8 |
| chemidplus : | 000543395 |
| epa-srs : | 543-39-5 |
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other :
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references :
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| fl. number : | 02.185 |
| pubchem : | 154278 |
| NIST Chemistry WebBook : | 1701663795 |
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