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| IUPAC name : | 1,1-dimethoxyheptane |
| InChI : | InChI=1/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3 |
| InChIKey : | BBMCNYFBAIUERL-UHFFFAOYAS |
| SMILES : | CCCCCCC(OC)OC |
| cas number : | 10032-05-0 |
| (EINECS) number : | 233-103-6 |
| fema number : | 2541 |
| coe number : | 2015 |
| jecfa number : | 947 |
| fl. number : | 06.028 |
| molar refractivity : | 47.19 ± 0.3 cm3 |
| parachor : | 426.9 ± 4.0 cm3 |
| index of refraction : | 1.410 ± 0.02 |
| surface tension : | 25.3 ± 3.0 dyne/cm |
| density : | 0.842 ± 0.06 g/cm3 |
| polarizability : | 18.70 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| molecular weight : | 160.2539000 |
| formula : | C9 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | 172.515 |
Suppliers :
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| Bedoukian Research : | HEPTANAL DIMETHYL ACETAL
≥98.0%, Kosher Odor: An odor reminiscent of vegetable greens such as bell peppers and salad greens. |
| Inoue : | HEPTANAL DIMETHYL ACETAL
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| Penta : | heptanal dimethyl acetal
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| Sigma-Aldrich-SAFC : | 1,1-Dimethoxyheptane
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organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 100.00 %. | green privet fruity tropical orange |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 1 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84400 to 0.84900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.023 to 7.065
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| refractive index : | 1.40500 to 1.41500 @ 20.00 °C.
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| boiling point : | 81.00 °C. @ 30.00 mm Hg
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| boiling point : | 164.00 to 165.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.60000 mm/Hg @ 20.00 °C. |
| flash point : | 155.00 °F. TCC ( 68.33 °C. )
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| logP (o/w) : | 2.74 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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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| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.037 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.26 (μg/capita/day) |
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| recommendation for heptanal dimethyl acetal usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for heptanal dimethyl acetal usage levels up to : |
| | 20.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 2 |
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| | 1,1-dimethoxyheptane
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| (EINECS) number : | 233-103-6 |
| chemidplus : | 010032050 |
| EPA Substance Registry Services : | 10032-05-0 |
references :
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| | 1,1-dimethoxyheptane
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| fl. number : | 06.028 |
| jecfa number : | 947 |
| NIST Chemistry WebBook : | 1701785792 |
| pubchem : | 197710 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1991)¹ |
| CosIng : | cosmetic data |