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| IUPAC name : | 1,1-dimethoxynon-2-yne |
| InChI : | InChI=1/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3 |
| InChIKey : | RPJGIPAAHSGBEZ-UHFFFAOYAK |
| SMILES : | CCCCCCC#CC(OC)OC |
| cas number : | 13257-44-8 |
| (EINECS) number : | 236-249-9 |
| beilstein number : | 4372599 |
| molar refractivity : | 54.46 ± 0.3 cm3 |
| parachor : | 484.6 ± 4.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.892 ± 0.06 g/cm3 |
| polarizability : | 21.59 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | PARMAVERT
≥98.0%, Kosher Odor: powerful green, floral, violet leaf |
organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | fresh green violet folage sweet |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 48 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88100 to 0.88900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.331 to 7.397
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| refractive index : | 1.43500 to 1.44300 @ 20.00 °C.
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| boiling point : | 104.00 °C. @ 7.00 mm Hg
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| vapor pressure : | 0.03000 mm/Hg @ 20.00 °C. |
| vapor density : | 1.2 ( Air = 1 ) |
| flash point : | 205.00 °F. TCC ( 96.11 °C. )
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| logP (o/w) : | 3.72 |
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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Oral-Rat >5000.00 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 779, 1982.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 779, 1982.
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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 2-nonyn-1-al dimethyl acetal usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for 2-nonyn-1-al dimethyl acetal 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 : | 3 |
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| | 1,1-dimethoxynon-2-yne
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| (EINECS) number : | 236-249-9 |
| chemidplus : | 013257448 |
| EPA Substance Registry Services : | 13257-44-8 |
references :
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| | 1,1-dimethoxynon-2-yne
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| pubchem : | 168581 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |