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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)prop-2-enyl acetate |
| InChI : | InChI=1/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3 |
| InChIKey : | BCTDJPZNMXPMIA-UHFFFAOYAE |
| SMILES : | CC1=CCC(CC1)C(=C)COC(=O)C |
| cas number : | 15111-97-4 |
| (EINECS) number : | 239-164-5 |
| fema number : | 3848 |
| coe number : | 10743 |
| fl. number : | 09.809 |
| molar refractivity : | 56.39 ± 0.3 cm3 |
| parachor : | 473.8 ± 6.0 cm3 |
| index of refraction : | 1.476 ± 0.02 |
| surface tension : | 31.6 ± 3.0 dyne/cm |
| density : | 0.972 ± 0.06 g/cm3 |
| polarizability : | 22.35 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 194.2701200 (IUPAC) |
| formula : | C12 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | 172.515 |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description: at 100.00 %. | sweet mild fruity minty |
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 : | 0.96400 to 0.97000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.021 to 8.071
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| refractive index : | 1.47300 to 1.47900 @ 20.00 °C.
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| boiling point : | 77.00 to 79.00 °C. @ 0.10 mm Hg
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| boiling point : | 265.00 to 266.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | not determined
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| logP (o/w) : | 3.64 |
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 limonen-10-yl acetate fragrance usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| | 2-(4-methyl-1-cyclohex-3-enyl)prop-2-enyl acetate |
| (EINECS) number : | 239-164-5 |
| chemidplus : | 015111974 |
| EPA Substance Registry Services : | 15111-97-4 |
references :
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| | 2-(4-methyl-1-cyclohex-3-enyl)prop-2-enyl acetate |
| fl. number : | 09.809 |
| NIST Chemistry WebBook : | 3851577209 |
| pubchem : | 198170 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |