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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1,1-dimethoxypropan-2-ylbenzene |
| InChI : | InChI=1/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3 |
| InChIKey : | UFOUDYPOSJJEDJ-UHFFFAOYAK |
| SMILES : | COC(OC)C(C)c1ccccc1 |
| (EINECS) number : | 202-022-8 |
| cas number : | 90-87-9 |
| beilstein number : | 2091958 |
| fema number : | 2888 |
| coe number : | 2017 |
| jecfa number : | 1468 |
| fl. number : | 06.030 |
| molar refractivity : | 53.15 ± 0.3 cm3 |
| parachor : | 438.6 ± 4.0 cm3 |
| index of refraction : | 1.484 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 0.971 ± 0.06 g/cm3 |
| polarizability : | 21.07 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 180.2435400 |
| formula : | C11 H16 O2 |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Hydratropic Aldehyde Dimethyl Acetal |
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| Sigma-Aldrich-SAFC : | 2-Phenylpropionaldehyde dimethyl acetal |
| | ≥97%, FCC |
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral leafy hyacinth green mushroom earthy walnut |
| substantivity : | 12 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98900 - 0.99700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.229 to 8.296
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| specific gravity : | 0.99000 - 0.99800 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.247 to 8.314
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| refractive index : | 1.49200 - 1.49700 @ 20.00 °C.
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| boiling point : | 111.00 - 112.00 °C. @ 12.00 mm Hg
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| boiling point : | 240.00 - 241.00 °C. @ 760.00 mm Hg
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| logp : | 2.58 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 1850.00 mg/kg FCTXAV 17,819,1979
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 17,819,1979
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 4.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 3.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 198.00 °F. TCC ( 92.22 °C. )
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| recommendation for 2-phenyl propionaldehyde dimethyl acetal usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for 2-phenyl propionaldehyde dimethyl acetal usage levels up to : |
| | 25.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 202-022-8 |
| rtecs : | MU6480000 for 90-87-9 |
| chemidplus : | 000090879 |
| epa-srs : | 90-87-9 |
| dtp/nci : | 46115 |
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other :
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references :
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| jecfa number : | 1468 |
| fl. number : | 06.030 |
| pubchem : | 203618 |
| NIST Chemistry WebBook : | 2752614940 |
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