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| IUPAC name : | 1-methyl-4-propan-2-ylidenecyclohexene |
| InChI : | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 |
| InChIKey : | MOYAFQVGZZPNRA-UHFFFAOYAS |
| SMILES : | CC1=CCC(=C(C)C)CC1 |
| cas number : | 586-62-9 |
| (EINECS) number : | 209-578-0 |
| beilstein number : | 1851203 |
| fema number : | 3046 |
| coe number : | 2115 |
| jecfa number : | 1331 |
| fl. number : | 01.005 |
| molar refractivity : | 45.45 ± 0.3 cm3 |
| parachor : | 364.9 ± 6.0 cm3 |
| index of refraction : | 1.481 ± 0.02 |
| surface tension : | 27.3 ± 3.0 dyne/cm |
| density : | 0.853 ± 0.06 g/cm3 |
| polarizability : | 18.02 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| NMR Predictor : | Predict |
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| export tariff code : | 3805.90.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Berje : | Terpinolene
20% |
| Berje : | Terpinolene
90% |
| Berje : | Terpinolene
Special Rein 95% |
| Fleurchem : | terpinolene
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| IFF : | Terpinolene 90 PQ
Odor: Fresh lime-pine top note. |
| IFF : | terpinolene 90
Odor: Pine, Lime, Citrus |
| John D. Walsh : | Terpinolene 20
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| John D. Walsh : | Terpinolene 90
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| Moellhausen : | terpinolene
94% min. nature identical kosher |
| Nippon Terpene : | Terpinolene
93% up (including isomer) |
| Penta : | terpinolene 20
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| Penta : | terpinolene 90
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| Sigma-Aldrich-SAFC : | Terpinolene
≥90%, NI, Kosher Odor: plastic |
| Takasago : | Terpinolene
≥95% as Terpinolene Odor: Sweet-piney, oily and relatively pleasant |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | fresh woody sweet pine citrus |
| odor sample from : | Union Camp Corporation |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88000 to 0.89000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.322 to 7.406
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| refractive index : | 1.46000 to 1.46400 @ 20.00 °C.
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| boiling point : | 183.00 to 185.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.74300 mm/Hg @ 24.00 °C. |
| vapor density : | 4.7 ( Air = 1 ) |
| flash point : | 148.00 °F. TCC ( 64.44 °C. )
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| logP (o/w) : | 4.47 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 10 - Flammable. R 65 - Harmful: may cause lung damage if swallowed. S 02 - Keep out of the reach of children. S 23 - Do not breath spray. S 24/25 - Avoid contact with skin and eyes. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
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| Human experience : | 10 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 4.39 ml/kg (Levenstein, 1975o)
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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) : | 656.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 70.00 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for terpinolene usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for terpinolene usage levels up to : |
| | 70.0000 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 |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 2541 |
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| WGK Germany : | 2 |
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| | 1-methyl-4-propan-2-ylidenecyclohexene
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| (EINECS) number : | 209-578-0 |
| RTECS : | WZ6870000 for 586-62-9 |
| chemidplus : | 000586629 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 586-62-9 |
references :
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| | 1-methyl-4-propan-2-ylidenecyclohexene
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| fl. number : | 01.005 |
| jecfa number : | 1331 |
| NIST Chemistry WebBook : | 2822145452 |
| pubchem : | 154770 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| VCF-Online: | VCF Volatile Compounds in Food |