ethyl 3-aminocrotonate
pharmaceuticals / chemical synthisis
| 2D: |
 |
| 3D: |
|
| CAS Number: |
626-34-6
|
| FDA UNII: |
Search |
| Category: |
pharmaceuticals / chemical synthisis |
| IUPAC Name: |
ethyl 3-aminocrotonate |
| InChI : |
InChI=1/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4- |
| Std.InChI: |
InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4- |
| InChIKey : |
YPMPTULBFPFSEQ-PLNGDYQABY |
| Std.InChIKey: |
YPMPTULBFPFSEQ-PLNGDYQASA-N |
| SMILES : |
CCOC(=O)/C=C(/C)\N |
| MDL: |
MFCD02730138 |
| Molar Refractivity : |
35.05 ± 0.3 cm3 (est) |
| Parachor : |
308.0 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.459 ± 0.02
(est) |
| Surface Tension : |
33.3 ± 3.0 dyne/cm (est) |
| Density : |
1.007 ± 0.06 g/cm3 (est) |
| Polarizability : |
13.89 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.02200 @ 25.00 °C. |
| Boiling Point: | 212.50 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.200000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 207.00 °F. TCC ( 97.22 °C. ) |
| logP (o/w): | 0.390 (est) |
| Soluble in: |
| | water, 6.164e+005 mg/L @ 25 °C (est) |
Safety Information:
| Preferred SDS: View |
| |
| 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 |
Safety in Use Information:
| Category: |
| pharmaceuticals / chemical synthisis |
| Recommendation for ethyl 3-aminocrotonate usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for ethyl 3-aminocrotonate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 2- | butenoic acid, 3-amino-, ethyl ester, (2Z)- |
| | ethyl (2Z)-3-amino-2-butenoate |
| | ethyl (Z)-3-aminobut-2-enoate |
