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| IUPAC name : | 2-methoxy-4-propylphenol |
| InChI : | InChI=1/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3 |
| InChIKey : | PXIKRTCSSLJURC-UHFFFAOYAA |
| SMILES : | CCCC1=CC(=C(C=C1)O)OC |
| cas number : | 2785-87-7 |
| (EINECS) number : | 220-499-0 |
| beilstein number : | 1866292 |
| fema number : | 3598 |
| jecfa number : | 717 |
| fl. number : | 04.049 |
| molar refractivity : | 48.99 ± 0.3 cm3 |
| parachor : | 395.3 ± 4.0 cm3 |
| index of refraction : | 1.519 ± 0.02 |
| surface tension : | 36.1 ± 3.0 dyne/cm |
| density : | 1.031 ± 0.06 g/cm3 |
| polarizability : | 19.42 ± 0.5 10-24cm3 |
| XlogP : | 3.00 |
| molecular weight : | 166.2169600 (IUPAC) |
| formula : | C10 H14 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Dihydro Eugenol
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| Penta : | 2-methoxy-4-propylphenol
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| Sigma-Aldrich-SAFC : | 2-Methoxy-4-propylphenol
≥99%, Kosher Odor: anise; apricot; clove; oily; spicy; floral; fishy; meaty; pepper; soapy; wine-like; woody. |
| Vigon : | Dihydro Eugenol
Odor: SPICY, FLORAL, WOODY |
organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description :¹ at 100.00 %. | clove sharp spicy sweet phenolic powdery allspice |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 92 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 : | 1.03600 to 1.03750 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.621 to 8.633
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| refractive index : | 1.52430 to 1.52570 @ 20.00 °C.
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| boiling point : | 125.00 to 126.00 °C. @ 14.00 mm Hg
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 2.71 |
safety :
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| most important hazard(s) : | T - Toxic. |
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R 24 - Toxic in contact with skin. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 36/37 - Wear suitable protective clothing and gloves. S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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| Oral Toxicity(LD50) : |
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Oral-Rat 2600.00 mg/kg FCTOD7 20,671,1982
Oral-Mouse 2000.00 mg/kg
Intraperitoneal-Mouse 150.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 310.00 mg/kg FCTOD7 20,671,1982
Subcutaneous-Mouse 1450.00 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) : | 180.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.10 (μg/capita/day) |
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| recommendation for dihydroeugenol usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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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 2810 |
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| WGK Germany : | 2 |
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| | 2-methoxy-4-propylphenol
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| (EINECS) number : | 220-499-0 |
| RTECS : | SL8050000 for 2785-87-7 |
| chemidplus : | 002785877 |
| EPA Substance Registry Services : | 2785-87-7 |
| dtp/nci : | 53043 |
references :
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| | 2-methoxy-4-propylphenol
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| fl. number : | 04.049 |
| jecfa number : | 717 |
| NIST Chemistry WebBook : | 2929974978 |
| pubchem : | 160869 |
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 |
| VCF-Online: | VCF Volatile Compounds in Food |