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| IUPAC name : | (4-prop-1-en-2-yl-1-cyclohexenyl)methyl acetate |
| InChI : | InChI=1/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3 |
| InChIKey : | WTXBCFKGCNWPLS-UHFFFAOYAE |
| SMILES : | CC(=C)C1CCC(=CC1)COC(=O)C |
| cas number : | 15111-96-3 |
| (EINECS) number : | 239-162-4 |
| fema number : | 3561 |
| coe number : | 10742 |
| jecfa number : | 975 |
| fl. number : | 09.278 |
| molar refractivity : | 56.38 ± 0.3 cm3 |
| parachor : | 473.8 ± 6.0 cm3 |
| index of refraction : | 1.473 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.967 ± 0.06 g/cm3 |
| polarizability : | 22.35 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 178.2707200 (IUPAC) |
| formula : | C12 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | 172.515 |
Suppliers :
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| Citrus and Allied Essences : | Perilla Acetate
Odor: rich spicy herbaceous note. |
| Nippon Terpene : | l-Perillyl acetate
90% up |
| Penta : | perilla acetate
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organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description: at 100.00 %. | spicy herbal |
properties :
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| appearence : | yellow to orange yellow clear liquid |
| assay : | 80.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97800 to 0.98600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.138 to 8.205
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| refractive index : | 1.47500 to 1.48500 @ 20.00 °C.
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| optical rotation : | -71.00 to -79.00
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| boiling point : | 258.00 to 259.00 °C. @ 760.00 mm Hg
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| flash point : | 200.00 °F. TCC ( 93.33 °C. )
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| logP (o/w) : | 3.61 |
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 perillyl acetate fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | (4-prop-1-en-2-yl-1-cyclohexenyl)methyl acetate |
| (EINECS) number : | 239-162-4 |
| chemidplus : | 015111963 |
| EPA Substance Registry Services : | 15111-96-3 |
references :
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| | (4-prop-1-en-2-yl-1-cyclohexenyl)methyl acetate |
| fl. number : | 09.278 |
| jecfa number : | 975 |
| NIST Chemistry WebBook : | 2244257127 |
| pubchem : | 198169 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |