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| IUPAC name : | (3,4-dimethoxyphenyl)methyl acetate |
| InChI : | InChI=1/C11H14O4/c1-8(12)15-7-9-4-5-10(13-2)11(6-9)14-3/h4-6H,7H2,1-3H3 |
| InChIKey : | KQWHHDCWLCCRLQ-UHFFFAOYAF |
| SMILES : | c(cc(c1)COC(=O)C)c(OC)c1OC |
| cas number : | 53751-40-9 |
| (EINECS) number : | 258-743-3 |
| molar refractivity : | 55.56 ± 0.3 cm3 |
| parachor : | 461.7 ± 4.0 cm3 |
| index of refraction : | 1.495 ± 0.02 |
| surface tension : | 34.6 ± 3.0 dyne/cm |
| density : | 1.105 ± 0.06 g/cm3 |
| polarizability : | 22.02 ± 0.5 10-24cm3 |
| molecular weight : | 210.2264600 (IUPAC) |
| formula : | C11 H14 O4 |
| NMR Predictor : | Predict |
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| export tariff code : | 3302.90.0050 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | VARTYL ACETATE BRI, RHODINYL ACETYATE SUBSTITUTE
≥94.0% (sum of isomers), Kosher
Odor: floral (rose) berry-like
Used like rhodinyl acetate.
Flavor: floral
As a sweet floral note in berry flavors. |
organoleptics :
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| odor strength : | medium |
odor description:
at 100.00 %. | sweet floral fresh berry rose
Luebke, William tgsc, (1988) |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 16 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 94.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89400 to 0.90200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.439 to 7.506
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| refractive index : | 1.44600 to 1.45400 @ 20.00 °C.
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| boiling point : | 240.00 °C. @ 760.00 mm Hg
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| flash point : | 210.00 °F. TCC ( 98.89 °C. )
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safety :
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| most important hazard(s) : | Xi - Irritant |
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R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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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| Category : | flavor and fragrance agents |
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| recommendation for rhodinyl acetate substitutes fragrance usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| WGK Germany : | 2 |
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(3,4-dimethoxyphenyl)methyl acetate |
| (EINECS) number : | 258-743-3 |
| chemidplus : | 53751-40-9 |
| EPA Substance Registry Services : | 53751-40-9 |
references :
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| |
(3,4-dimethoxyphenyl)methyl acetate |
| pubchem : | 53751-40-9 |
other :
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