Identifiers & Physical Properties
| CAS No. | 6810-31-7 |
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| Molecular formula | C4H10O3 |
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| Average molar mass | 106.12 g/mol |
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| SMILES | OCCC(O)CO |
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| InChIKey | ARXKVVRQIIOZGF-UHFFFAOYSA-N |
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| ChEMBL | CHEMBL1356759 |
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| ChEBI | CHEBI:88063 |
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| EC No. | 221-323-5 |
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Chemical & Physical Properties
| XLogP | -1.4 |
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| Topological polar surface area | 60.7 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 7 |
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| Formal charge | 0 |
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| Complexity | 37.9 |
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| Polymers | Other Classes -> Alcohols and Polyols, Other |
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| Physical Description | LiquidColorless to yellow liquid, miscible in water[MSDSonline] |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 1.1% (1 of 92) of reports.WarningH315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | 1,2,4-Butanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,4-Butanetriol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)1,2,4-Butanetriol: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazards summary | An irritant[MSDSonline] |
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| Hazard Classes and Categories | Skin Irrit. 2 (98.9%) |
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