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| IUPAC name : | 3,7-dimethyloct-6-enyl benzoate |
| InChI : | InChI=1/C17H24O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3 |
| InChIKey : | UDPCCAUIDDVTEL-UHFFFAOYAM |
| SMILES : | CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1 |
| cas number : | 10482-77-6 |
| (EINECS) number : | 233-988-9 |
| coe number : | 60 |
| molar refractivity : | 79.58 ± 0.3 cm3 |
| parachor : | 650.9 ± 4.0 cm3 |
| index of refraction : | 1.501 ± 0.02 |
| surface tension : | 33.9 ± 3.0 dyne/cm |
| density : | 0.965 ± 0.06 g/cm3 |
| polarizability : | 31.54 ± 0.5 10-24cm3 |
| XlogP : | 5.70 |
| XlogP3 : | 5.80 |
| molecular weight : | 260.3712600 (IUPAC) |
| formula : | C17 H24 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description: at 100.00 %. | verbena rose dryed rose petals |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98200 @ 25.00 °C.
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| boiling point : | 340.00 °C. @ 760.00 mm Hg
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| flash point : | 325.00 °F. TCC ( 162.78 °C. )
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| logP (o/w) : | 6.30 |
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 citronellyl benzoate fragrance usage levels up to : |
| | 8.0000 % 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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| | 3,7-dimethyloct-6-enyl benzoate |
| (EINECS) number : | 233-988-9 |
| chemidplus : | 010482776 |
| EPA Substance Registry Services : | 10482-77-6 |
references :
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| | 3,7-dimethyloct-6-enyl benzoate |
| pubchem : | 689302 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |