HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 33503Generated: October 27, 2026
Neotridecanoic acid
2,2-DIMETHYLUNDECANOIC ACID · Undecanoic acid, 2,2-dimethyl- · ALPHA,ALPHA-DIMETHYLUNDECANOIC ACID
https://huagongshe.com/en/chemical/33503
Identifiers & Physical Properties
| CAS No. | 13005-29-3 |
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| Molecular formula | C13H26O2 |
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| Average molar mass | 214.34 g/mol |
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| Monoisotopic mass | 214.19328007 g/mol |
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| SMILES | CCCCCCCCCC(C)(C)C(=O)O |
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| InChIKey | OTOBIMFBDYITLZ-UHFFFAOYSA-N |
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| PubChem CID | 33503 |
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| EC No. | 106-446-3 |
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| DTXSID | DTXSID10949299 |
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Chemical & Physical Properties
| XLogP | 5.3 |
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| Topological polar surface area | 37.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 173 |
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| Boiling point | 177-178 °C(Press: 10 Torr) |
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| Density | 0.901±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 4.87±0.49(Predicted) |
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Safety & Regulations
| GHS classification | DangerH318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Eye Dam. 1 (100%) |
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