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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(4Z)-1-cyclooct-4-enyl] methyl carbonate |
| InChI : | InChI=1/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2- |
| InChIKey : | LDHHCYCOENSXIM-IHWYPQMZBZ |
| SMILES : | COC(=O)OC1CCC\C=C/CC1 |
| cas number : | 87731-18-8 |
| (EINECS) number : | 401-620-8 |
| molar refractivity : | 49.78 ± 0.4 cm3 |
| parachor : | 432.3 ± 6.0 cm3 |
| index of refraction : | 1.468 ± 0.03 |
| surface tension : | 34.1 ± 5.0 dyne/cm |
| density : | 1.02 ± 0.1 g/cm3 |
| polarizability : | 19.73 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 184.2322400 |
| formula : | C10 H16 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2920.90 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Violiff
Odor: Floral, violet leaf, green, tagette with fruity banana notes. |
| John D. Walsh : | Violiff
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| Takasago : | Violet -T
≥65% as Violet T
Odor: Floral, violet, green,tagette, with fruity banana notes. |
organoleptics :
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| odor type : | floral |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :¹
at 10.00 % in dipropylene glycol. | floral violet green banana tagette fruity |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 19 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 68.00 to 78.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05600 to 1.06400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.787 to 8.854
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| refractive index : | 1.46300 to 1.46900 @ 20.00 °C.
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 2.45 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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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 violet methyl carbonate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for violet methyl carbonate usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| WGK Germany : | 3 |
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| | [(4Z)-1-cyclooct-4-enyl] methyl carbonate
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| (EINECS) number : | 401-620-8 |
| chemidplus : | EE4016208 |
| EPA Substance Registry Services : | 87731-18-8 |
references :
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| | [(4Z)-1-cyclooct-4-enyl] methyl carbonate
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| pubchem : | 201381 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (2006)¹ |
| CosIng : | cosmetic data |