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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | aluminum;propan-2-olate |
| canonical smiles | CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3] |
| inchi | InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3 |
| inchi key | SMZOGRDCAXLAAR-UHFFFAOYSA-N |
| molecular formula | C9H21AlO3 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 204.24 g/mol |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 3 |
| Rotatable Bond Count: | 0 |
| Exact Mass: | 204.1306079 g/mol |
| Monoisotopic Mass: | 204.1306079 g/mol |
| Topological Polar Surface Area: | 69.2 Ų |
| Heavy Atom Count: | 13 |
| Formal Charge: | 0 |
| Complexity: | 10.8 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 4 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P370+P378, P403+P233, P405, and P501 |
| hazard statements | |
| hazards summary | May cause eye irritation. Reacts with water. A corrosive substance that can cause injury to the skin, eyes, and respiratory tract. See Aluminum. |
| toxicity summary | The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer , but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer . Certain aluminum salts induce immune responses by activating inflammasomes. |
| symptoms | Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. |
| health effects | Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. |
| carcinogen classification | default_key: Not listed by IARC. IARC classified aluminum production as carcinogenic to humans , but did not implicate aluminum itself as a human carcinogen. A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed , but studies have not been able to establish a clear link . |
