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| IUPAC name : | 4-methoxybenzoic acid |
| InChI : | InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey : | ZEYHEAKUIGZSGI-UHFFFAOYAA |
| SMILES : | COC1=CC=C(C=C1)C(=O)O |
| cas number : | 100-09-4 |
| (EINECS) number : | 202-818-5 |
| beilstein number : | 0508910 |
| fema number : | 3945 |
| coe number : | 10077 |
| jecfa number : | 883 |
| fl. number : | 08.071 |
| molar refractivity : | 39.86 ± 0.3 cm3 |
| parachor : | 326.0 ± 4.0 cm3 |
| index of refraction : | 1.545 ± 0.02 |
| surface tension : | 44.9 ± 3.0 dyne/cm |
| density : | 1.207 ± 0.06 g/cm3 |
| polarizability : | 15.80 ± 0.5 10-24cm3 |
| XlogP : | 1.60 |
| XlogP3 : | 2.00 |
| molecular weight : | 152.1473200 (IUPAC) |
| formula : | C8 H8 O3 |
| BioActivity Analysis : | 73685 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.13.0000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | anisic acid
98% min. natural |
| Penta : | p-anisic acid
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| Pfaltz & Bauer : | p-Anisic Acid
98% |
| Sigma-Aldrich-SAFC : | p-Anisic acid
≥99% |
| TCI AMERICA : | p-Anisic Acid
>99.0%(GC)(T) |
organoleptics :
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| odor type : | animal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | faint putrid sweet cadaverous |
properties :
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| appearence : | white crystals |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 183.00 to 186.00 °C. @ 760.00 mm Hg
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| boiling point : | 275.00 to 280.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00150 mm/Hg @ 25.00 °C. |
| flash point : | 365.00 °F. TCC ( 185.00 °C. )
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| logP (o/w) : | 1.96 |
| shelf life : | 36.00 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) : | Xi - Irritant |
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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 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Subcutaneous-Mouse 400.00 mg/kg Cesko-Slovenska Farmacie. Vol. 31, Pg. 236, 1982.
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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) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.10 (μg/capita/day) |
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| recommendation for para-anisic acid usage levels up to : |
| | not for fragrance use.
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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 |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | 4-methoxybenzoic acid
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| (EINECS) number : | 202-818-5 |
| RTECS : | BZ4395000 for 100-09-4 |
| chemidplus : | 000100094 |
| EPA Substance Registry Services : | 100-09-4 |
| dtp/nci : | 7926 |
references :
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| | 4-methoxybenzoic acid
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| fl. number : | 08.071 |
| jecfa number : | 883 |
| NIST Chemistry WebBook : | 100094 |
| pubchem : | 150551 |
Cosmetics :
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| Cosmetic uses : |
masking agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |