식별자 및 물리적 특성
| CAS No. | 26444-19-9 |
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| 분자식 | C9H10O |
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| 평균 분자량 | 134.17 g/mol |
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| 단동위원소 질량 | 134.07316494 g/mol |
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| SMILES | CC(=O)c1ccccc1C |
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| InChIKey | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
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| PubChem CID | 11340 |
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| ChEBI | CHEBI:145958 |
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| EC No. | 209-408-5 |
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| DTXSID | DTXSID501015360 |
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| 현지명 | 1-(메틸페닐)에탄-1-온 |
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화학 및 물리적 성질
| XLogP | 2 |
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| 극성 표면적 | 17.1 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 10 |
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| 형식 전하 | 0 |
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| 복잡도 | 129 |
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| 물질 분류 | Other Classes -> Aromatic Ketones |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 밀도 | 1.023-1.029 |
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| 향미제 | EU Flavoring substances |
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| 용해도 | Practically insoluble or insoluble in waterSoluble (in ethanol) |
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| 끓는 점 | 214.00 °C. @ 760.00 mm Hg213-215 °C95-120 °C(Press: 15 Torr) |
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| 굴절률 | 1.526-1.532 |
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| Physical Description | Colorless liquid[Alfa Aesar MSDS]Colourless to pale yellow liquidNutty coconut aroma |
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| EPA | Ethanone, 1-(methylphenyl)- (26444-19-9) |
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안전 및 규제
| GHS 분류 | WarningH312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1375 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: Ethanone, 1-(2-methylphenyl)-Chemical: Ethanone, 1-(methylphenyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethanone, 1-(2-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| 유해성 요약 | May cause irritation[Alfa Aesar MSDS] See Acetophenone. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA 등재 상태 | TSCA listed |
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