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| IUPAC name : | 1,2,3-trimethoxy-5-prop-2-enylbenzene |
| InChI : | InChI=1/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 |
| InChIKey : | BPLQKQKXWHCZSS-UHFFFAOYAD |
| SMILES : | COC1=CC(=CC(=C1OC)OC)CC=C |
| cas number : | 487-11-6 |
| (EINECS) number : | 207-649-0 |
| beilstein number : | 1912664 |
| jecfa number : | 1788 |
| molar refractivity : | 60.19 ± 0.3 cm3 |
| parachor : | 482.6 ± 4.0 cm3 |
| index of refraction : | 1.496 ± 0.02 |
| surface tension : | 30.2 ± 3.0 dyne/cm |
| density : | 1.011 ± 0.06 g/cm3 |
| polarizability : | 23.86 ± 0.5 10-24cm3 |
| XlogP : | 2.70 |
| molecular weight : | 208.2536400 (IUPAC) |
| formula : | C12 H16 O3 |
| BioActivity Analysis : | 80216 |
| pherobase : | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium |
odor description: at 100.00 %. | spice flower |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05800 to 1.07000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.804 to 8.903
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| refractive index : | 1.52900 to 1.53400 @ 20.00 °C.
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| boiling point : | 152.00 to 156.00 °C. @ 17.00 mm Hg
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| boiling point : | 144.00 to 147.00 °C. @ 10.00 mm Hg
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| flash point : | 199.00 °F. TCC ( 92.78 °C. )
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| logP (o/w) : | 2.68 |
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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| recommendation for elemicin fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
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| | 1,2,3-trimethoxy-5-prop-2-enylbenzene |
| (EINECS) number : | 207-649-0 |
| chemidplus : | 000487116 |
| EPA Substance Registry Services : | 487-11-6 |
| dtp/nci : | 16704 |
references :
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| | 1,2,3-trimethoxy-5-prop-2-enylbenzene |
| jecfa number : | 1788 |
| NIST Chemistry WebBook : | 2795201488 |
| pubchem : | 153506 |
| Flavornet : | 487-11-6 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |