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| IUPAC name : | (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene |
| InChI : | InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+ |
| InChIKey : | XBGUIVFBMBVUEG-CCEZHUSRBG |
| SMILES : | CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1 |
| cas number : | 495-62-5 |
| (EINECS) number : | 207-805-8 |
| fema number : | 3331 |
| coe number : | 10979 |
| jecfa number : | 1336 |
| fl. number : | 01.016 |
| molar refractivity : | 68.52 ± 0.3 cm3 |
| parachor : | 549.2 ± 6.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 29.5 ± 3.0 dyne/cm |
| density : | 0.867 ± 0.06 g/cm3 |
| polarizability : | 27.16 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| XlogP3-AA : | 4.70 |
| molecular weight : | 204.3510600 (IUPAC) |
| formula : | C15 H24 |
| NMR Predictor : | Predict |
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| export tariff code : | 2902.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | BISABOLENE
Kosher Odor: A berry, somewhat spicy, citrus note. |
| Nanjing : | Bisabolene
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| Penta : | bisabolene
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| Vigon : | Bisabolene
Odor: SPICY, BALSAMIC, AGRESTIC |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description :¹ at 100.00 %. | balsam citrus myrrh opoponax spicy |
| odor sample from : | Fritzsche Dodge & Olcott, Inc. |
| substantivity : | 104 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85000 to 0.85800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.073 to 7.139
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| refractive index : | 1.49300 to 1.49700 @ 20.00 °C.
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| boiling point : | 148.00 °C. @ 18.00 mm Hg
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| boiling point : | 261.00 to 263.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.03000 mm/Hg @ 20.00 °C. |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 6.70 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection.
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| Human experience : | 10 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 725, 1975.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 725, 1975.
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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) : | 13.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 10.00 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for bisabolene usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for bisabolene usage levels up to : |
| | 30.0000 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 |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
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| (EINECS) number : | 207-805-8 |
| chemidplus : | 000495625 |
| EPA Substance Registry Services : | 495-62-5 |
references :
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| | (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
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| fl. number : | 01.016 |
| jecfa number : | 1336 |
| NIST Chemistry WebBook : | 2051610372 |
| pubchem : | 203630 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |