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| IUPAC name : | 7-ethyl-1,4-dimethylazulene |
| InChI : | InChI=1/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3 |
| InChIKey : | GXGJIOMUZAGVEH-UHFFFAOYAM |
| SMILES : | CCC1=CC2=C(C=CC2=C(C=C1)C)C |
| cas number : | 529-05-5 |
| (EINECS) number : | 208-449-6 |
| beilstein number : | 1306577 |
| molar refractivity : | 63.29 ± 0.3 cm3 |
| parachor : | 462.9 ± 4.0 cm3 |
| index of refraction : | 1.584 ± 0.02 |
| surface tension : | 36.0 ± 3.0 dyne/cm |
| density : | 0.975 ± 0.06 g/cm3 |
| polarizability : | 25.09 ± 0.5 10-24cm3 |
| XlogP : | 5.10 |
| XlogP3-AA : | 4.40 |
| molecular weight : | 184.2768400 (IUPAC) |
| formula : | C14 H16 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | chamazulene
orders in chinese only. |
organoleptics :
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properties :
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| appearence : | bluish green clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98810 @ 25.00 °C.
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| boiling point : | 159.00 °C. @ 11.00 mm Hg
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| boiling point : | 298.00 to 300.00 °C. @ 760.00 mm Hg
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| flash point : | 279.00 °F. TCC ( 137.22 °C. )
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| logP (o/w) : | 5.51 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | natural substances and extractives |
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| recommendation for chamazulene fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for chamazulene flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
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| | 7-ethyl-1,4-dimethylazulene |
| (EINECS) number : | 208-449-6 |
| chemidplus : | 000529055 |
| EPA Substance Registry Services : | 529-05-5 |
references :
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| | 7-ethyl-1,4-dimethylazulene |
| NIST Chemistry WebBook : | 2776060162 |
| pubchem : | 154020 |
Cosmetics :
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| Cosmetic uses : |
skin conditioning
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |