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| IUPAC name : | 1-(dimethoxymethyl)-4-methoxybenzene |
| InChI : | InChI=1/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3 |
| InChIKey : | NNHYAHOTXLASEA-UHFFFAOYAA |
| SMILES : | COC1=CC=C(C=C1)C(OC)OC |
| cas number : | 2186-92-7 |
| (EINECS) number : | 218-577-4 |
| beilstein number : | 2048930 |
| molar refractivity : | 50.60 ± 0.3 cm3 |
| parachor : | 418.3 ± 4.0 cm3 |
| index of refraction : | 1.486 ± 0.02 |
| surface tension : | 31.7 ± 3.0 dyne/cm |
| density : | 1.033 ± 0.06 g/cm3 |
| polarizability : | 20.06 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| XlogP3-AA : | 1.50 |
| molecular weight : | 182.2163600 (IUPAC) |
| formula : | C10 H14 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | ANISALDEHYDE DIMETHYL ACETAL
≥98.5%, Kosher Odor: A mild, floral, hawthorn. |
| Penta : | anisic aldehyde dma
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| Pfaltz & Bauer : | Anisaldehyde dimethyl acetal
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| Sigma-Aldrich-Aldrich : | Anisaldehyde dimethyl acetal
puriss., ≥98.5% (GC) |
| TCI AMERICA : | p-Anisaldehyde Dimethyl Acetal
>95.0%(GC) |
organoleptics :
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| odor type : | floral |
| odor strength : | low |
odor description :¹ at 100.00 %. | mild floral hawthorn jasmin lilac elderflower |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 112 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.06300 to 1.07300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.845 to 8.928
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| refractive index : | 1.49800 to 1.50800 @ 20.00 °C.
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| boiling point : | 235.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.04880 mm/Hg @ 25.00 °C. |
| flash point : | 208.00 °F. TCC ( 97.78 °C. )
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| logP (o/w) : | 2.15 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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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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| 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 para-anisaldehyde dimethyl acetal usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for para-anisaldehyde dimethyl acetal usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| IUCLID : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | 1-(dimethoxymethyl)-4-methoxybenzene
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| (EINECS) number : | 218-577-4 |
| chemidplus : | 002186927 |
| EPA Substance Registry Services : | 2186-92-7 |
references :
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| | 1-(dimethoxymethyl)-4-methoxybenzene
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| NIST Chemistry WebBook : | 2186927 |
| pubchem : | 217364 |
other :
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| reference : | Luebke, William tgsc, (1989)¹ |