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| IUPAC name : | 1,2-dimethoxy-4-prop-2-enylbenzene |
| InChI : | InChI=1/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| InChIKey : | ZYEMGPIYFIJGTP-UHFFFAOYAJ |
| SMILES : | COC1=C(C=C(C=C1)CC=C)OC |
| cas number : | 93-15-2 |
| (EINECS) number : | 202-223-0 |
| beilstein number : | 1910871 |
| fema number : | 2475 |
| coe number : | 185 |
| jecfa number : | 1790 |
| fl. number : | 04.012 |
| molar refractivity : | 53.51 ± 0.3 cm3 |
| parachor : | 425.9 ± 4.0 cm3 |
| index of refraction : | 1.500 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.980 ± 0.06 g/cm3 |
| polarizability : | 21.21 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 178.2276600 (IUPAC) |
| formula : | C11 H14 O2 |
| BioActivity Analysis : | 125980 |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.30.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | methyl eugenol
98% min. natural Odor: Clove, spicy |
| Berje : | Methyl Eugenol
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| Citrus and Allied Essences : | methyl eugenol
FCC |
| Elan : | methyl eugenol
FCC, Kosher |
| Moellhausen : | methyl eugenol
nature identical kosher Odor: aromatic, dry carnation character, with herbal undertone Flavor: spicy, dry, clove, herbal; cinnamon, mouth tingle, fresh, peppery and woody |
| Penta : | methyl eugenol
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| Sigma-Aldrich-SAFC : | Methyl eugenol
≥98%, FCC, Kosher Odor: anise; apricot; banana; chocolate; cinnamon; clove; coconut; creamy; musty; oily; spicy; fruity; peach; plum; raspberry; sweet; vanilla; earthy; green; woody |
| Symrise : | Eugenol methyl ether
Odor: clove-like, spicy with herbal and tea-like nuance Flavor: spicy, dry, clove, herbal |
| Vigon : | Methyl Eugenol
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organoleptics :
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| odor type : | spicy |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | sweet fresh warm spicy clove carnation cinnamon |
| odor sample from : | Elan Chemical, Inc. |
| substantivity : | 60 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.03000 to 1.03800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.571 to 8.637
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| specific gravity : | 1.03100 to 1.03900 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.589 to 8.656
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| refractive index : | 1.53100 to 1.53600 @ 20.00 °C.
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| melting point : | -4.00 °C. @ 760.00 mm Hg
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| boiling point : | 254.00 to 255.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.02000 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 3.03 |
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. R 40 - Possible risks of irreversable effects. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 810.00 gm/kg FCTXAV 13,857,1975
intravenous-Mouse 112.00 mg/kg
Intraperitoneal-Mouse 540.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >2025.00 mg/kg TXAPA9 31,421,1975
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat >4800.00 mg/m3
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safety in use :
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| IFRA critical Effect : | Potential carcinogenic activity |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.0004 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.0010 % Restriction.
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| limits in the finished product for - "no skin contact" : |
| | 0.0200 % Restriction.
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| recommendation for methyl eugenol usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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| recommendation for methyl eugenol usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : Methyleugenol ) |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 1 |
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| | 1,2-dimethoxy-4-prop-2-enylbenzene
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| (EINECS) number : | 202-223-0 |
| RTECS : | CY2450000 for 93-15-2 |
| chemidplus : | 000093152 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 93-15-2 |
| dtp/nci : | 209528 |
references :
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| | 1,2-dimethoxy-4-prop-2-enylbenzene
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| fl. number : | 04.012 |
| jecfa number : | 1790 |
| NIST Chemistry WebBook : | 2364986711 |
| pubchem : | 150164 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |