Identifiers & Physical Properties
| CAS No. | 313643-49-1 |
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| Molecular formula | C6H8O3 |
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| Average molar mass | 128.13 g/mol |
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| SMILES | CC(=O)C1CCOC1=O |
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| InChIKey | OMQHDIHZSDEIFH-UHFFFAOYSA-N |
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| ChEMBL | CHEMBL3187921 |
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| ChEBI | CHEBI:179633 |
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| EC No. | 208-235-2 |
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Chemical & Physical Properties
| XLogP | 0.1 |
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| Topological polar surface area | 43.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 150 |
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| Chemical classes | Other Classes -> Lactones |
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| Lipids | Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704] |
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| Physical Description | LiquidLiquid with an ester-like odor[Merck Index] Clear colorless to pale yellow liquid[Acros Organics MSDS] |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 0.5% (1 of 202) of reports.WarningH315 (97.5%): 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 202 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | Chemical: 2(3H)-Furanone, 3-acetyldihydro-2(3H)-Furanone, 3-acetyldihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2(3H)-Furanone, 3-acetyldihydro- 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)Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/257152-Acetyl-gamma-butyrolactone: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazards summary | A skin and mucous membrane irritant[Merck Index] A skin and strong eye irritant[ECHA REACH Registrations] An irritant[Acros Organics MSDS] See beta-Butyrolactone and Butyrolactone. |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.5%) |
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