식별자 및 물리적 특성
| CAS No. | 52126-90-6 |
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| 분자식 | C6H10O3 |
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| 평균 분자량 | 130.14 g/mol |
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| 단동위원소 질량 | 130.06299418 g/mol |
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| SMILES | CC1(C)COC(=O)C1O |
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| InChIKey | SERHXTVXHNVDKA-UHFFFAOYSA-N |
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| PubChem CID | 989 |
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| ChEMBL | CHEMBL4066633 |
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| ChEBI | CHEBI:194720 |
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| EC No. | 201-210-7 |
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| DTXSID | DTXSID40861637 |
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화학 및 물리적 성질
| XLogP | 0.5 |
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| 극성 표면적 | 46.5 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 9 |
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| 형식 전하 | 0 |
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| 복잡도 | 139 |
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| 물질 분류 | Biological Agents -> Vitamins and Derivatives |
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| 증기압 | 0.06 [mmHg] |
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| Physical Description | White to slightly yellow solid[OECD SIDS] Colorless hygroscopic crystals[Sigma-Aldrich MSDS] |
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안전 및 규제
| GHS 분류 | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/166422(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| 유해성 요약 | Not irritating to rabbit skinNot a skin sensitizer in guinea pig maximization testNo reproductive or developmental toxicity observed in sub-chronic oral study of rats at doses up to 1,000 mg/kg/day (mild parental toxicity seen at this dose)[OECD SIDS] May cause irritation[Sigma-Aldrich MSDS] See Pantothenic acid. |
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| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
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