식별자 및 물리적 특성
| CAS No. | 1321-87-5 |
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| 분자식 | C10H18O2 |
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| 평균 분자량 | 170.25 g/mol |
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| 단동위원소 질량 | 170.13067982 g/mol |
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| SMILES | CCC(C)(O)C#CC(C)(O)CC |
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| InChIKey | NUYADIDKTLPDGG-UHFFFAOYSA-N |
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| PubChem CID | 6546 |
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| EC No. | 201-131-8 |
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| DTXSID | DTXSID1041475 |
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| 현지명 | 다이메틸옥시네다이올 |
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화학 및 물리적 성질
| XLogP | 1.2 |
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| 극성 표면적 | 40.5 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 12 |
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| 형식 전하 | 0 |
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| 복잡도 | 190 |
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| 화장품 | SolventEmulsifying |
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| 화장품 원료 기능 | 계면활성제 - 세정계면활성제 - 유화제 |
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안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: 4-Octyne-3,6-diol, 3,6-dimethyl-4-Octyne-3,6-diol, 3,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Octyne-3,6-diol, 3,6-dimethyl- 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)4-Octyne-3,6-diol, 3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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