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| IUPAC Name - | methyl 2-aminobenzoate |
| InChI - | InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3 |
| InChIKey - | VAMXMNNIEUEQDV-UHFFFAOYAV |
| SMILES - | COC(=O)C1=CC=CC=C1N |
| CAS Number : | 134-20-3 |
| (EINECS) Number : | 205-132-4 |
| Beilstein Number : | 0606965 |
| FEMA Number : | 2682 |
| COE Number : | 250 |
| Molar Refractivity : | 42.26 ± 0.3 cm3 (est) |
| Parachor : | 337.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.565 ± 0.02 (est) |
| Surface Tension : | 46.2 ± 3.0 dyne/cm (est) |
| Density : | 1.166 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.75 ± 0.5 10-24cm3 (est) |
| XlogP : | 1.60 (est) |
| Molecular Weight : | 151.1625600 (IUPAC) (PT) (112) |
| Formula : | C8 H9 N O2 |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 1534
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| Fl@vouring Number : | 09.715
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| FDA Mainterm : | METHYL ANTHRANILATE. |
| FDA Regulation. : | FDA PART 182 -- SUBSTANCES GENERALLY RECOGNIZED AS SAFE Subpart A--General Provisions Sec. 182.60 Synthetic flavoring substances and adjuvants.
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Suppliers :
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| Advanced Biotech : | methyl anthranilate
98% min. natural Odor: Fruity, Grape |
| Bedoukian Research : | METHYL ANTHRANILATE
≥98.0%, FCC, Kosher Odor: Characteristic concord grape, orange blossom aroma A versatile material useful for its resemblance to orange flower. Flavor: sweet fruity Used in a wide variety of flavors including grape, plum, blueberry and cherry. |
| Bell : | Methyl Anthranilate
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| Berje : | Methyl Anthranilate
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| Citrus and Allied Essences : | Methyl Anthranilate Extra
FCC |
| Citrus and Allied Essences : | Methyl Anthranilate
(natural) |
| Elan : | methyl anthranilate
(natural), Kosher |
| Fleurchem : | methyl anthranilate
natural |
| Fleurchem : | methyl anthranilate
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| Givaudan : | Methyl Anthranilate Extra
Odor: Floral, Neroli, Warm, Sweet Extensively used in many types of floral blends such as neroli and orange blossom, as well as in exotic compositions, gardenia, tuberose and jasmine, Methyl Anthranilate imparts warmth, volume and sweetness and is used in all types of perfumery. |
| IFF : | Methyl Anthranilate
Odor: Fruity, Grape, Floral Fruity, floral, orange blossom, grape odor. |
| John D. Walsh : | Methyl Anthranilate
|
| Moellhausen : | methyl anthranilate
99% min. nature identical kosher |
| Mooreganics : | Methyl Anthranilate
Natural (Organic Compliant) Odor: MUSTY-FRUITY, FRY-FLORAL, CONCORD GRAPE, ORANGE BLOSSOM |
| Penta : | methyl anthranilate
|
| Penta : | methyl anthranilate
natural |
| Polarome : | METHYL ANTHRANILATE
FCC |
| SAFC Global® : | Methyl anthranilate
≥98%, FCC, Kosher, FG Odor: chocolate; grape; grapefruit; jasmine; lemon; lime; musty; fruity; herbaceous; citrus; floral; strawberry; sweet; coffee; medicinal |
| SAFC Global® : | Methyl anthranilate
≥99%, natural, Kosher, FG Odor: chocolate; grape; grapefruit; jasmine; lemon; lime; musty; fruity; herbaceous; citrus; floral; strawberry; sweet; coffee; medicinal |
| Vigon : | Methyl Anthranilate Extra
FCC |
| Vigon : | Methyl Anthranilate
Natural Odor: Floral, Neroli, Warm, Sweet |
Organoleptics :
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| Odor Type : | fruity |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | fruity grape orangeflower neroli Luebke, William tgsc, (1982) |
| Odor sample from : | Berje Inc. |
Odor Description:
| Fruity, concord grape, musty with a floral powdery nuance Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
Taste Description: at 25.00 ppm. | Sweet, fruity, concord grape, with a musty and berry nuance Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
| Substantivity : | 88 Hour(s) |
Properties :
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| Appearence : | pale yellow to dark yellow clear liquid to solid |
| Assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| Specific Gravity : | 1.16100 to 1.16900 @ 25.00 °C.
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| Pounds per Gallon - est. : | 9.661 to 9.727
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| Refractive Index : | 1.57900 to 1.59200 @ 20.00 °C.
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| Melting Point : | 23.00 to 24.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 238.00 to 241.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 163.00 to 164.00 °C. @ 50.00 mm Hg
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| Congealing Point : | 23.80 °C.
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| Saponification Value : | 98.00 to 102.00
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| Vapor Pressure : | 0.01000 mm/Hg @ 25.00 °C. |
| Vapor Density : | 5.2 ( Air = 1 ) |
| Flash Point : | 220.00 °F. TCC ( 104.44 °C. )
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| logP (o/w) : | 1.88 |
| 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) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 : | 10 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 2910.00 mg/kg FCTXAV 2,327,1964
Oral-Mouse 3900.00 mg/kg
Oral-Guineapig 2780.00 mg/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg FCTXAV 12,935,1974
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| Inhalation Toxicity(LC50) : | |
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Not determined
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Safety in Use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 686.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 3764.00 (μg/capita/day) |
| Threshold of Concern : | 1800 (μg/person/day) |
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| Recommendation for methyl anthranilate fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| Recommendation for methyl anthranilate flavor usage levels up to : |
| | 2200.0000 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 |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | methyl 2-aminobenzoate |
| BioActivity Analysis : | 69638 |
| dtp/nci : | 3109 |
| (EINECS) Number : | 205-132-4 |
| Chemidplus : | 000134203 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 134-20-3 |
| RTECS : | CB3325000 for cas# 134-20-3 |
References :
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| | methyl 2-aminobenzoate |
| NIST Chemistry WebBook : | 3796554741 |
| Pubchem : | 151791 |
| Flavornet : | 134-20-3 |
Cosmetics :
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| Cosmetic Uses : |
masking agents
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Other :
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| CosIng : | cosmetic data |
| | C of A |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Export Tariff Code : | 2922.49.1000 |
| FMA : | listed |
| RIFM : | listed |
| VCF-Online: | VCF Volatile Compounds in Food |