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| IUPAC name : | 2,6-dimethyloct-7-en-2-ol |
| InChI : | InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3 |
| InChIKey : | XSNQECSCDATQEL-UHFFFAOYAC |
| SMILES : | CC(CCCC(C)(C)O)C=C |
| cas number : | 18479-58-8 |
| (EINECS) number : | 242-362-4 |
| beilstein number : | 1840872 |
| fl. number : | 02.144 |
| molar refractivity : | 49.56 ± 0.3 cm3 |
| parachor : | 428.2 ± 4.0 cm3 |
| index of refraction : | 1.443 ± 0.02 |
| surface tension : | 27.7 ± 3.0 dyne/cm |
| density : | 0.837 ± 0.06 g/cm3 |
| polarizability : | 19.64± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| molecular weight : | 156.2652000 (IUPAC) |
| formula : | C10 H20 O |
| NMR Predictor : | Predict |
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| export tariff code : | 3302.90.9090 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Dihydro Myrcenol
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| Fleurchem : | dihydromyrcenol
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| IFF : | Lymolene
Odor: Strong, fresh, clean, lavender, bergamot, bitter, citrus, coriander, lime cologne complex. |
| John D. Walsh : | Dihydro Myrcenol
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| Moellhausen : | dihydromyrcenol
98% min. nature identical kosher |
| Polarome : | DIHYDROMYRCENOL
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| Sigma-Aldrich-SAFC : | 2,6-Dimethyl-7-octen-2-ol
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
| Takasago : | Dihydromyrcenol
≥98% as Dihydromyrcenol Odor: Citrusy-floral and sweet. |
| Ungerer : | Dihydromyrcenol
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organoleptics :
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| odor type : | citrus |
| odor strength : | medium |
odor description¹ : at 100.00 %. | fresh citrus lime floral clean cologne weedy |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 16 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.82400 to 0.83000 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.857 to 6.906
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| specific gravity : | 0.83100 to 0.83900 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.923 to 6.989
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| refractive index : | 1.43400 to 1.44000 @ 20.00 °C.
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| boiling point : | 194.00 to 197.00 °C. @ 760.00 mm Hg
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| boiling point : | 84.00 °C. @ 10.00 mm Hg
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| vapor pressure : | 0.20000 mm/Hg @ 20.00 °C. |
| vapor density : | 5.4 ( Air = 1 ) |
| flash point : | 169.00 °F. TCC ( 76.11 °C. )
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| logP (o/w) : | 3.00 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 3600.00 mg/kg (Moreno, 1973o)
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.0012 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 3900 (μg/person/day) |
| Threshold of concern : | 1800 (μg/person/day) |
| Structure Class : | I |
| Category : | flavor and fragrance agents |
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| recommendation for dihydromyrcenol fragrance usage levels up to : |
| | 75.0000 % 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. |
| | 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) : | 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) : | 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 references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 1 |
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| | 2,6-dimethyloct-7-en-2-ol |
| (EINECS) number : | 242-362-4 |
| RTECS : | RH3420000 for cas# 18479-58-8 |
| chemidplus : | 018479588 |
| EPA Substance Registry Services : | 18479-58-8 |
references :
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| | 2,6-dimethyloct-7-en-2-ol |
| fl. number : | 02.144 |
| NIST Chemistry WebBook : | 136687376 |
| pubchem : | 171477 |
| Flavornet : | 18479-58-8 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
solvents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |
| | C of A |