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| IUPAC name : | methyl 2-methylaminobenzoate |
| InChI : | InChI=1/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3 |
| InChIKey : | GVOWHGSUZUUUDR-UHFFFAOYAS |
| SMILES : | CNC1=CC=CC=C1C(=O)OC |
| cas number : | 85-91-6 |
| (EINECS) number : | 201-642-6 |
| beilstein number : | 0607217 |
| fema number : | 2718 |
| coe number : | 756 |
| jecfa number : | 1545 |
| fl. number : | 09.781 |
| molar refractivity : | 47.63 ± 0.3 cm3 |
| parachor : | 371.0 ± 4.0 cm3 |
| index of refraction : | 1.562 ± 0.02 |
| surface tension : | 40.8 ± 3.0 dyne/cm |
| density : | 1.125 ± 0.06 g/cm3 |
| polarizability : | 18.88 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| molecular weight : | 165.1891400 (IUPAC) |
| formula : | C9 H11 N O2 |
| BioActivity Analysis : | 74900 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.3800 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | dimethyl anthranilate
98% min. natural |
| Bedoukian Research : | DIMETHYL ANTHRANILATE
≥98.0%, FCC, Kosher Odor: Orange blossom and grape-like A pleasant orange blossom character for fine fragrances. Flavor: fruity grape Used in concord grape, green apple, cherry and dried fruit (raisin, prune) flavors for pitty woody notes. |
| Cargill : | DIMETHYL ANTHRANILATE (EU NAT)
natural, Kosher Odor: Fruity, Musty, Sweet, Grape |
| Fleurchem : | dimethyl anthranilate
natural |
| Fleurchem : | dimethyl anthranilate
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| Givaudan : | Dimethyl Anthranilate
Odor: Orange flower, Mandarine, Neroli Dimethyl Anthranilate is similar in use to Methyl Anthranilate, but it will not form Schiff bases with the aldehydes and has little or no tendency to discolour. |
| Mane : | dimethyl anthranilate
|
| Moellhausen : | dimethyl anthranilate
60% min. nature identical kosher Odor: sweet, citrus, mandarin -tangerine Flavor: citrus, orange, mandarin. |
| Moellhausen : | dimethyl anthranilate
99% min. nature identical kosher Odor: sweet, citrus, mandarin -tangerine Flavor: citrus, orange, mandarin. |
| Mooreganics : | Dimethyl Anthranilate
Natural (Organic Compliant) Odor: ORANGE PEEL, MUSTY |
| Payand Betrand : | Methyl methylanthranilate
Egypt, Natural Isolated Constituent |
| Penta : | dimethyl anthranilate
|
| Penta : | dimethyl anthranilate
natural |
| Polarome : | DIMETHYL ANTHRANILATE
FCC |
| Robertet : | Dimethylanthranilate (methyl n-methylanthranilate)
naturel |
| SAFC Global® : | Diethyl anthranilate
≥97%, Kosher Odor: blossom; grape; orange |
| SAFC Global® : | Dimethyl anthranilate
≥98%, natural, FCC, Kosher Odor: blossom; grape; orange |
| Vigon : | Dimethyl Anthranilate
Odor: Orange flower, Mandarine, Neroli |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description: at 100.00 %. | fruity musty sweet neroli powdery phenolic wine Luebke, William tgsc, (1987) |
| odor sample from : | Harrmann & Reimer Corporation |
odor description:
| Sweet, fruity anthranilate-like with a clean fresh floral nuance Mosciano, Gerard P&F 16, No. 1, 31, (1991) |
taste description: at 10.00 ppm. | Fruity grape skin, anthranilate-like with a woody and floral nuance Mosciano, Gerard P&F 16, No. 1, 31, (1991) |
| substantivity : | 48 Hour(s) |
properties :
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| appearence : | pale yellow to amber clear liquid to solid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.12500 to 1.13000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.361 to 9.403
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| refractive index : | 1.57900 to 1.58100 @ 20.00 °C.
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| melting point : | 17.00 to 19.00 °C. @ 760.00 mm Hg
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| boiling point : | 255.00 to 256.00 °C. @ 760.00 mm Hg
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| boiling point : | 130.00 to 131.00 °C. @ 13.00 mm Hg
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| congealing point : | 12.00 °C.
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.01000 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) : | 2.81 |
| 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. R 42 - May cause sensitisation by inhalation. R 42/43 - May cause sensitization by inhalation and skin contact. R 43 - May cause sensitisation by skin contact. 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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| Human experience : | 10 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 3380.00 mg/kg
intravenous-Mouse 180.00 mg/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 5000.00 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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 51.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 120.00 (μg/capita/day) |
| Threshold of concern : | 1800 (μg/person/day) |
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| IFRA critical Effect : | Phototoxicity |
| IFRA fragrance material specification : |
| | For applications on areas of the skin exposed to sunlight, excluding
bath preparations, soaps and other wash-off products, limit to 10% in
the finished cosmetic product. Based on the phototoxic potential and
on the observed no-effect level of approximately 2 mg/cm2 of the
hairless mouse (Food and Chemical Toxicology 17, 273 (1979)). |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.1000 % Restriction.
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| recommendation for dimethyl anthranilate fragrance usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for dimethyl anthranilate flavor usage levels up to : |
| | 30.0000 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 |
| IFRA : | IFRA - ( Found under : Methyl N-methylanthranilate ) |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 1 |
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| | methyl 2-methylaminobenzoate |
| (EINECS) number : | 201-642-6 |
| RTECS : | CB3500000 for cas# 85-91-6 |
| chemidplus : | 000085916 |
| EPA Substance Registry Services : | 85-91-6 |
| dtp/nci : | 9406 |
references :
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| | methyl 2-methylaminobenzoate |
| fl. number : | 09.781 |
| jecfa number : | 1545 |
| NIST Chemistry WebBook : | 2075734128 |
| pubchem : | 149826 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |