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| IUPAC name : | 2-amino-3-phenylpropanoic acid |
| InChI : | InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) |
| InChIKey : | COLNVLDHVKWLRT-UHFFFAOYAL |
| SMILES : | C1=CC=C(C=C1)CC(C(=O)O)N |
| cas number : | 150-30-1 |
| (EINECS) number : | 205-756-7 |
| beilstein number : | 3198807 |
| fema number : | 3726 |
| coe number : | 10488 |
| jecfa number : | 1432 |
| fl. number : | 17.017 |
| molar refractivity : | 45.49 ± 0.3 cm3 |
| parachor : | 371.8 ± 4.0 cm3 |
| index of refraction : | 1.576 ± 0.02 |
| surface tension : | 53.5 ± 3.0 dyne/cm |
| density : | 1.201 ± 0.06 g/cm3 |
| polarizability : | 18.03 ± 0.5 10-24cm3 |
| XlogP : | -1.40 |
| molecular weight : | 165.1891400 (IUPAC) |
| formula : | C9 H11 N O2 |
| BioActivity Analysis : | 75308 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.3800 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | dextro,laevo-phenyl alanine
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| SAFC Global® : | DL-Phenyl alanine
≥98.5%, FCC Odor: sweet |
organoleptics :
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| odor type : | odorless |
| odor strength : | none |
odor description: at 100.00 %. | odorless |
properties :
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| appearence : | white crystalline platelets |
| Food Chemicals Codex Listed : | Yes |
| melting point : | 186.00 °C. @ 760.00 mm Hg
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| boiling point : | 266.00 to 267.00 °C. @ 760.00 mm Hg
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| flash point : | 283.00 °F. TCC ( 139.44 °C. )
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| logP (o/w) : | 1.11 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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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 : | special dietary and nutritional additives |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.90 (μg/capita/day) |
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| recommendation for dextro,laevo-phenyl alanine fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for dextro,laevo-phenyl alanine flavor usage levels up to : |
| | not for flavor 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 |
| 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 |
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| WGK Germany : | 1 |
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| | 2-amino-3-phenylpropanoic acid |
| (EINECS) number : | 205-756-7 |
| chemidplus : | 000150301 |
| EPA Substance Registry Services : | 150-30-1 |
| dtp/nci : | 9959 |
references :
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| | 2-amino-3-phenylpropanoic acid |
| fl. number : | 17.017 |
| jecfa number : | 1432 |
| NIST Chemistry WebBook : | 2993892197 |
| pubchem : | 152183 |
Cosmetics :
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| Cosmetic uses : |
hair conditioning
masking agents
skin conditioning
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |