| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 28457-05-8 |
| FDA UNII: | Search |
| Category: | flavor and fragrance agents |
| IUPAC Name: | isoamyl anthranilate |
| InChI : | InChI=1/C12H17NO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3 |
| Std.InChI: | InChI=1S/C12H17NO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3 |
| InChIKey : | YXMRIWCMMGEYBH-UHFFFAOYAF |
| Std.InChIKey: | YXMRIWCMMGEYBH-UHFFFAOYSA-N |
| SMILES : | CC(C)CCOC(=O)C1=CC=CC=C1N |
| Molar Refractivity : | 60.75 ± 0.3 cm3 (est) |
| Parachor : | 494.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.532 ± 0.02 (est) |
| Surface Tension : | 40.5 ± 3.0 dyne/cm (est) |
| Density : | 1.057 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.08 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 306.00 to 307.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 321.00 °F. TCC ( 160.56 °C. ) |
| logP (o/w): | 4.061 (est) |
| Soluble in: | |
| alcohol | |
| water, 11.34 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| amyl anthranilate | |
| None found |
| None found |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :347713 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methylbutyl 2-aminobenzoate |
| 3-methylbutyl 2-aminobenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 347713 |
| Pubchem (sid): | 476426 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
| None Found |
| None Found |
| not found in nature |
| 1- | butanol, 3-methyl-, 1-(2-aminobenzoate) |
| 1- | butanol, 3-methyl-, 2-aminobenzoate |
| 3- | methyl butyl 2-aminobenzoate |
| 3- | methyl butyl anthranilate |
| 3- | methylbutyl 2-aminobenzoate |
| 3- | methylbutyl anthranilate |
| iso | pentyl anthranilate |
| None found yet. Try the PubMed Search. |
