HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 76839Generated: October 27, 2026
Butylphosphonic Acid
butylphosphonic acid · Nsc 38367 · 1-BUTYLPHOSPHONIC ACID · n-Butylphosphonic Acid · Phosphonic acid, butyl- · n-Butanephosphonic acid · 1-Butanephosphonic acid · Disodium butylphosphonate
https://huagongshe.com/en/chemical/76839
Identifiers & Physical Properties
| CAS No. | 3321-64-0 |
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| Molecular formula | C4.H11.O3.P |
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| Average molar mass | 138.1 g/mol |
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| Monoisotopic mass | 138.04458084 g/mol |
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| SMILES | CCCCP(=O)(O)O |
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| InChIKey | UOKRBSXOBUKDGE-UHFFFAOYSA-N |
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| PubChem CID | 76839 |
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| ChEBI | CHEBI:41384 |
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| EC No. | 679-394-7 |
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| DTXSID | DTXSID30186861 |
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Chemical & Physical Properties
| XLogP | -0.3 |
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| Topological polar surface area | 57.5 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 8 |
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| Formal charge | 0 |
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| Complexity | 95.5 |
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| Drugs | Pharmaceuticals -> Listed in ZINC15 |
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| SpringerMaterials Properties | 31P nuclear magnetic resonance spectrum |
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| Melting point | 105-107°C |
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| Boiling point | 274.8±23.0 °C(Predicted) |
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| Density | 1.214±0.06 g/cm3(Predicted) |
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| Storage conditions | Store at room temperature |
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| Solubility | Soluble in water |
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| Physical state | powder to crystal |
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| pKa (acidity coefficient) | 2.66±0.10(Predicted) |
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| Color | White to Almost white |
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| BRN | 1749026 |
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| InChI | InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7) |
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| InChIKey | UOKRBSXOBUKDGE-UHFFFAOYSA-N |
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| SMILES | P(CCCC)(=O)(O)O |
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| FDA UNII | HKC30FCB7P |
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| UNSPSC Code | 12352103 |
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| NACRES | NA.23 |
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| GHS pictogram | GHS05 |
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| Signal word | Danger |
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| GHS hazard statements | H314 |
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| GHS precautionary statements | P280-P305+P351+P338-P310 |
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| Hazard symbols | C |
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| Risk statements (R) | 34-14 |
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| Safety statements (S) | 26-36/37/39-45 |
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| UN transport number | 3261 |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2931.39.0030 |
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| Hazard class | 8Skin Corr. 1B |
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| Packing group | III |
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| Storage class | 8A - Combustible corrosive hazardous materials |
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| Limited quantities | 1 Kg (2.2 lbs) (solid) |
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| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
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Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Protective Action Criteria (PAC) | 9.6 [mg/m3]110 [mg/m3]630 [mg/m3] |
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| Water hazard class (WGK) | 3 |
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| UN transport number | 3261 |
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| Customs code | 2931.39.0030 |
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| Risk statements (R) | 34-14 |
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| Signal word | Danger |
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| GHS pictogram | GHS05 |
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| Hazard symbols | C |
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| Safety statements (S) | 26-36/37/39-45 |
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| Hazard class | 8Skin Corr. 1B |
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| Storage class | 8A - Combustible corrosive hazardous materials |
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| Packing group | III |
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| GHS hazard statements | H314 |
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| Limited quantities | 1 Kg (2.2 lbs) (solid) |
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| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
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| GHS precautionary statements | P280-P305+P351+P338-P310 |
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