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| IUPAC name : | 3,5,5-trimethylhexyl formate |
| InChI : | InChI=1/C10H20O2/c1-9(5-6-12-8-11)7-10(2,3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey : | MMANPPDMMOUQIX-UHFFFAOYAE |
| SMILES : | CC(CCOC=O)CC(C)(C)C |
| cas number : | 67355-38-8 |
| (EINECS) number : | 266-661-4 |
| molar refractivity : | 50.23 ± 0.3 cm3 |
| parachor : | 451.0 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 27.0 ± 3.0 dyne/cm |
| density : | 0.871 ± 0.06 g/cm3 |
| polarizability : | 19.91 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.13.0000 |
| fda reg : | unspecified |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium |
odor description : at 100.00 %. | woody green herbal |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 206.00 to 207.00 °C. @ 760.00 mm Hg
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| flash point : | 162.00 °F. TCC ( 72.22 °C. )
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| logP (o/w) : | 3.47 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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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 nonisyl formate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for nonisyl formate 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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| WGK Germany : | 2 |
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| | 3,5,5-trimethylhexyl formate
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| (EINECS) number : | 266-661-4 |
| chemidplus : | 067355388 |
| EPA Substance Registry Services : | 67355-38-8 |
references :
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| | 3,5,5-trimethylhexyl formate
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| pubchem : | 683934 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |