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| IUPAC name : | 7-methyl-3-methylideneocta-1,6-diene |
| InChI : | InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
| InChIKey : | UAHWPYUMFXYFJY-UHFFFAOYAT |
| SMILES : | CC(=CCCC(=C)C=C)C |
| cas number : | 123-35-3 |
| (EINECS) number : | 204-622-5 |
| beilstein number : | 1719990 |
| fema number : | 2762 |
| coe number : | 2197 |
| jecfa number : | 1327 |
| fl. number : | 01.008 |
| molar refractivity : | 47.57 ± 0.3 cm3 |
| parachor : | 387.5 ± 4.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 22.9 ± 3.0 dyne/cm |
| density : | 0.769 ± 0.06 g/cm3 |
| polarizability : | 18.85 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| BioActivity Analysis : | 476184 |
| NMR Predictor : | Predict |
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| export tariff code : | 2901.29.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | myrcene
90% min. natural |
| Berje : | Myrcene
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| John D. Walsh : | Myrcene
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| Moellhausen : | myrcene
83% min. nature identical kosher |
| Mooreganics : | Myrcene
Natural (Organic Compliant) |
| Nippon Terpene : | beta-Myrcene
65% up |
| Penta : | myrcene
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| Penta : | myrcene, natural
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| Sigma-Aldrich-SAFC : | Myrcene
≥90%, FCC, Kosher, FG Odor: anise; grape; fruity; herbaceous; peach; sweet; vanilla; wine-like; vegetable; woody; green |
| Takasago : | Myrcene P and F
≥85% as Myrcene Odor: Sweet-balsamic-resinous "gum" |
organoleptics :
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| odor type : | spicy |
| odor strength : | high , recommend smelling in a 5.00 % solution or less |
odor description :¹ at 5.00 % in dipropylene glycol. | peppery terpene spicy balsam plastic |
| odor sample from : | Bush Boake Allen Inc |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 90.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.79100 to 0.79500 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.582 to 6.615
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| refractive index : | 1.46600 to 1.47100 @ 20.00 °C.
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| boiling point : | 166.00 to 167.00 °C. @ 760.00 mm Hg
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| boiling point : | 65.00 to 66.00 °C. @ 20.00 mm Hg
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| vapor pressure : | 2.01000 mm/Hg @ 25.00 °C. |
| vapor density : | 4.7 ( Air = 1 ) |
| flash point : | 103.00 °F. TCC ( 39.44 °C. )
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| logP (o/w) : | 4.58 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 65 - Harmful: may cause lung damage if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat [sex: M] >5000.00 mg/kg (Moreno, 1972j)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg FCTXAV 14,615,76
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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) : | 7100.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 153.00 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for myrcene usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for myrcene usage levels up to : |
| | 100.0000 ppm in the flavor.
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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... |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2319 |
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| WGK Germany : | 2 |
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| | 7-methyl-3-methylideneocta-1,6-diene
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| (EINECS) number : | 204-622-5 |
| RTECS : | RG5365000 for 123-35-3 |
| chemidplus : | 000123353 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 123-35-3 |
| dtp/nci : | 406264 |
references :
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| | 7-methyl-3-methylideneocta-1,6-diene
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| fl. number : | 01.008 |
| jecfa number : | 1327 |
| NIST Chemistry WebBook : | 680685077 |
| pubchem : | 173293 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |