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| IUPAC Name - | dimethoxymethylbenzene |
| InChI - | InChI=1/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 |
| InChIKey - | HEVMDQBCAHEHDY-UHFFFAOYAC |
| SMILES - | COC(C1=CC=CC=C1)OC |
| CAS Number : | 1125-88-8 |
| (EINECS) Number : | 214-413-0 |
| Beilstein Number : | 2044501 |
| FEMA Number : | 2128 |
| COE Number : | 37 |
| Molar Refractivity : | 43.92 ± 0.3 cm3 (est) |
| Parachor : | 361.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.488 ± 0.02 (est) |
| Surface Tension : | 31.8 ± 3.0 dyne/cm (est) |
| Density : | 0.999 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.41 ± 0.5 10-24cm3 (est) |
| XlogP : | 1.80 (est) |
| XlogP3-AA : | 1.60 (est) |
| Molecular Weight : | 152.1903800 (IUPAC) (PT) (112) |
| Formula : | C9 H12 O2 |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | Benzaldehyde dimethyl acetal.
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| Fl@vouring Number : | 06.003
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| FDA Mainterm : | BENZALDEHYDE DIMETHYL ACETAL. |
| FDA Regulation. : | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Suppliers :
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| Bedoukian Research : | BENZALDEHYDE DIMETHYL ACETAL
≥98.0%, Kosher Odor: A sweet, aromatic, somewhat green, nutty For almond, nut, fruit, violet and other nutty and floral fragrances. Flavor: aromatic Used in vegetable flavors such as parsley and carrots. |
| Cargill : | BENZALDEHYDE DIMETHYL ACETAL
natural, Kosher Odor: Floral, Nutty |
| Inoue : | BENZALDEHYDE DIMETHYL ACETAL
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| Penta : | benzaldehyde dimethyl acetal
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| SAFC Global® : | Benzaldehyde dimethyl acetal
≥98%, Kosher Odor: nutty; floral |
Organoleptics :
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| Odor Type : | green |
| Odor Strength : | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | floral almond sharp fruity wine green |
Odor Description:
| Green, winey, fruity and sharp with a floral nuance Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
Taste Description: at 5.00 ppm. | Green, sharp and almondy with a cherry pit nuance Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
Properties :
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| Appearence : | colorless clear liquid |
| Assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 1.00700 to 1.02000 @ 25.00 °C.
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| Pounds per Gallon - est. : | 8.379 to 8.487
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| Refractive Index : | 1.48800 to 1.49600 @ 20.00 °C.
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| Boiling Point : | 87.00 to 89.00 °C. @ 18.00 mm Hg
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| Boiling Point : | 198.00 °C. @ 760.00 mm Hg
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| Acid Value : | 1.00 max. KOH/g
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| Vapor Pressure : | 0.35500 mm/Hg @ 25.00 °C. |
| Flash Point : | 157.00 °F. TCC ( 69.44 °C. )
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| logP (o/w) : | 2.24 |
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 36/37 - Wear suitable protective clothing and gloves.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 1220.00 mg/kg (Moreno, 1977z)
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 711, 1979.
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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 |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.30 (μg/capita/day) |
| Structure Class : | I |
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| Recommendation for benzaldehyde dimethyl acetal fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| Recommendation for benzaldehyde dimethyl acetal flavor usage levels up to : |
| | 60.0000 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 |
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| WGK Germany : | 3 |
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| | dimethoxymethylbenzene |
| BioActivity Analysis : | 144137 |
| dtp/nci : | 286137 |
| (EINECS) Number : | 214-413-0 |
| Chemidplus : | 001125888 |
| EPA Substance Registry Services : | 1125-88-8 |
| RTECS : | CU5774000 for cas# 1125-88-8 |
References :
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| | dimethoxymethylbenzene |
| NIST Chemistry WebBook : | 1125888 |
| Pubchem : | 203673 |
Cosmetics :
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| Cosmetic Uses : |
perfuming agents
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Other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Export Tariff Code : | 2911.00.5000 |
| FMA : | listed |
| RIFM : | listed |
| VCF-Online: | VCF Volatile Compounds in Food |