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| IUPAC name : | 1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate |
| InChI : | InChI=1/C14H24O4/c1-5-17-13(15)14(16)18-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3 |
| InChIKey : | VCHQSPDXMJAXJI-UHFFFAOYAB |
| SMILES : | CCOC(=O)C(=O)OCCC(C)CCC=C(C)C |
| cas number : | 60788-25-2 |
| (EINECS) number : | 262-433-3 |
| molar refractivity : | 70.31 ± 0.3 cm3 |
| parachor : | 619.3 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 27.87 ± 0.5 10-24cm3 |
| XlogP : | 4.20 |
| XlogP3-AA : | 4.40 |
| molecular weight : | 256.3379600 (IUPAC) |
| formula : | C14 H24 O4 |
| NMR Predictor : | Predict |
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| export tariff code : | 2917.11.0000 |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description¹ : at 100.00 %. | sweet lily muguet rose aldehydic lychee waxy |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96900 to 9.77000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.063 to 81.296
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| specific gravity : | 9.70000 to 9.78000 @ 20.00 °C.
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| pounds per gallon - calc. : | 80.808 to 81.474
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| refractive index : | 1.44600 to 1.45000 @ 20.00 °C.
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| boiling point : | 320.00 to 321.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 4.30 |
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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| Category : | fragrance agents |
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| recommendation for citronellyl ethoxalate fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for citronellyl ethoxalate flavor usage levels up to : |
| | not for flavor use.
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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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| | 1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate |
| (EINECS) number : | 262-433-3 |
| chemidplus : | 060788252 |
| EPA Substance Registry Services : | 60788-25-2 |
references :
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| | 1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate |
| pubchem : | 685872 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1995)¹ |
| CosIng : | cosmetic data |
| FMA : | listed |