HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Acetylaminocaproic acid
Acexamic Acid · AACA · CY 153 · AceMin · Plastenan · Acetaminocaproic acid · 6-Acetamidocaproic acid · e-Acetamidocaproic Acid
Identifiers & Physical Properties
| CAS No. | 57-08-9 |
|---|---|
| Molecular formula | C8H15NO3 |
| Average molar mass | 173.21 g/mol |
| Monoisotopic mass | 173.10519334 g/mol |
| SMILES | CC(=O)NCCCCCC(=O)O |
| InChIKey | WDSCBUNMANHPFH-UHFFFAOYSA-N |
| PubChem CID | 2005 |
| ChEMBL | CHEMBL2105922 |
| ChEBI | CHEBI:134808 |
| EC No. | 200-310-8 |
| DTXSID | DTXSID1045879 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 66.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 156 |
| Collision Cross Section | 141.4 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Melting point | 102-104 °C(lit.) |
| Boiling point | 303.86°C (rough estimate) |
| Density | 1.1599 (rough estimate) |
| Refractive index | 1.4590 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | DMSO (Sparingly), Methanol (Slightly) |
| pKa (acidity coefficient) | 4.75±0.10(Predicted) |
| Physical state | Solid |
| Color | White to Off-White |
| Merck | 14,45 |
| Cosmetics Ingredients Functions | ANTIOXIDANT |
| InChI | InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) |
| InChIKey | WDSCBUNMANHPFH-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCNC(C)=O |
| LogP (partition coefficient) | -0.500 (est) |
| CAS DataBase Reference | 57-08-9(CAS DataBase Reference) |
| FDA UNII | 7IC4BO7D3R |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H317-H319 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29241900 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.DangerH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.There are 2 notifications provided by 2 of 4 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Chemical: Hexanoic acid, 6-(acetylamino)-Status: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30101 |
| Hazard Classes and Categories | Skin Irrit. 2 (50%)Eye Dam. 1 (50%)STOT SE 3 (50%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29241900 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| GHS hazard statements | H317-H319 |
| REACH registrations | Active |
Applications & Uses
Uses
wound healing agent
Uses
6-Acetamidohexanoic acid is used after oral administration of an antiulcer agent, zinc acexamate (ZAC) for treatment of gastric ulcer or small bowel inflammation.