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| IUPAC name : | 1-methoxy-4-methylbenzene |
| InChI : | InChI=1/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3 |
| InChIKey : | CHLICZRVGGXEOD-UHFFFAOYAW |
| SMILES : | CC1=CC=C(C=C1)OC |
| cas number : | 104-93-8 |
| (EINECS) number : | 203-253-7 |
| beilstein number : | 1237336 |
| fema number : | 2681 |
| coe number : | 188 |
| jecfa number : | 1243 |
| fl. number : | 04.015 |
| molar refractivity : | 37.75 ± 0.3 cm3 |
| parachor : | 301.5 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.941 ± 0.06 g/cm3 |
| polarizability : | 14.96 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 122.1644000 (IUPAC) |
| formula : | C8 H10 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.30.0000 |
| fda reg : | 172.515 |
Suppliers :
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| BASF : | p-Cresol methyl ether
≥ 98% (CGC) Odor: Pungent sweet, ylang, almond |
| Berje : | Methyl Para Cresol
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| Inoue : | P-CRESYL METHYL ETHER
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| John D. Walsh : | para-Cresyl Methyl Ether
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| Moellhausen : | methyl p-cresol
98% min. nature identical kosher Odor: floreal,camphoraceous, phenolic, in dilution Ylang Ylang, cananga Flavor: camphoraceous, woody, phenolic, fresh |
| Penta : | p-cresyl methyl ether
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| Sigma-Aldrich-SAFC : | p-Methyl anisole
≥99%, FCC, Kosher Odor: cedar; sweet; vanilla; camphoraceous |
| Symrise : | Cresyl methyl ether para
Odor: strong of leather with nuances, reminiscent of p-Cresol Flavor: vanilla-, chocolate-, nut-like, slightly phenolic |
| Ungerer : | Methyl p-Cresol
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| Vigon : | Cresyl Methyl Ether para
FCC Odor: PUNGENT, YLANG YLANG |
organoleptics :
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| odor type : | naphthyl |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | naphthyl cresol ylang powdery nutty |
| odor sample from : | Ungerer & Company, Inc. |
| substantivity : | 8 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 : | Yes |
| specific gravity : | 0.96700 to 0.96900 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.046 to 8.063
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| refractive index : | 1.51200 to 1.51400 @ 20.00 °C.
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| boiling point : | 174.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 1.14000 mm/Hg @ 25.00 °C. |
| flash point : | 128.00 °F. TCC ( 53.33 °C. )
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| logP (o/w) : | 2.66 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 10 - Flammable. R 22 - Harmful if swallowed. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Human experience : | 2 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat [sex: M,F] 1920.00 mg/kg (Wong & Hart, 1971)
Intraperitoneal-Mouse >500.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg FCTXAV 12,393,1974
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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) : | 0.49 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 15.00 (μg/capita/day) |
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| recommendation for para-methyl anisole usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for para-methyl anisole usage levels up to : |
| | 20.0000 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... |
| msds : | msds |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 1 |
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| | 1-methoxy-4-methylbenzene
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| (EINECS) number : | 203-253-7 |
| RTECS : | BZ8780000 for 104-93-8 |
| chemidplus : | 000104938 |
| EPA Substance Registry Services : | 104-93-8 |
| dtp/nci : | 6254 |
references :
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| | 1-methoxy-4-methylbenzene
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| fl. number : | 04.015 |
| jecfa number : | 1243 |
| NIST Chemistry WebBook : | 338690916 |
| pubchem : | 150821 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1996)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |