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| IUPAC name : | 6,6-dimethoxy-2,5,5-trimethylhex-2-ene |
| InChI : | InChI=1/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3 |
| InChIKey : | RDHNTAXPFZIMDN-UHFFFAOYAE |
| SMILES : | CC(=CCC(C)(C)C(OC)OC)C |
| cas number : | 67674-46-8 |
| (EINECS) number : | 266-885-2 |
| molar refractivity : | 56.32 ± 0.3 cm3 |
| parachor : | 484.9 ± 4.0 cm3 |
| index of refraction : | 1.433 ± 0.02 |
| surface tension : | 25.1 ± 3.0 dyne/cm |
| density : | 0.859 ± 0.06 g/cm3 |
| polarizability : | 22.32 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 186.2911800 (IUPAC) |
| formula : | C11 H22 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.0000 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Methyl Pomello
(Methyl Pamplemousse™Type) |
| Givaudan : | Methyl Pamplemousse
Odor: Fresh, Citrus, Grapefruit peel |
| Moellhausen : | amarocit
98% min. nature identical kosher Odor: fresh herbal, green fruity; citrusy, reminding of grapefruit peel |
| Penta : | methyl pamplemousse
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| Symrise : | Amarocit®
Odor: fresh-fruity, reminiscent of grapefruit peel |
| Vigon : | Amarocite
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| Vigon : | Methyl Pamplemousse
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh citrus grapefruit peel soapy woody green violet |
| odor sample from : | Penta International Corporation |
| substantivity : | 2 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86500 to 0.88500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.198 to 7.364
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| refractive index : | 1.43000 to 1.45000 @ 20.00 °C.
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| boiling point : | 214.00 to 215.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.29000 mm/Hg @ 20.00 °C. |
| vapor density : | 6.5 ( Air = 1 ) |
| flash point : | 181.00 °F. TCC ( 82.78 °C. )
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| logP (o/w) : | 3.18 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
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 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Mouse >8000.00 mg/kg
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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 grapefruit acetal usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for grapefruit acetal usage levels up to : |
| | not for flavor use.
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safety references :
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| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 6,6-dimethoxy-2,5,5-trimethylhex-2-ene
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| (EINECS) number : | 266-885-2 |
| chemidplus : | 067674468 |
| EPA Substance Registry Services : | 67674-46-8 |
references :
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| | 6,6-dimethoxy-2,5,5-trimethylhex-2-ene
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| pubchem : | 683991 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (2003)¹ |
| CosIng : | cosmetic data |
| | C of A |