식별자 및 물리적 특성
| CAS No. | 19016-95-6 |
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| 분자식 | C12.H16 |
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| 평균 분자량 | 160.25 g/mol |
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| 단동위원소 질량 | 160.12520051 g/mol |
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| SMILES | c1ccc(C2CCCCC2)cc1 |
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| InChIKey | IGARGHRYKHJQSM-UHFFFAOYSA-N |
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| PubChem CID | 13229 |
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| ChEMBL | CHEMBL3278514 |
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| EC No. | 212-572-0 |
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| DTXSID | DTXSID3061188 |
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화학 및 물리적 성질
| XLogP | 4.9 |
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| 극성 표면적 | 0 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 0 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 12 |
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| 형식 전하 | 0 |
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| 복잡도 | 116 |
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| 물질 분류 | Other Classes -> Aromatic Hydrocarbons |
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| SpringerMaterials Properties | Boiling point |
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| LogP(분배 계수) | 5.54 |
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| 밀도 | 0.938 @25 °C0.982 g/cm3(Temp: 14 °C) |
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| 끓는 점 | 240 °C @760 [mm Hg]240.1 °C |
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| 증기압 | 0.03 [mmHg]1 [mm Hg] @67.5 °C |
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| Physical Description | LiquidColorless liquid with a mild odor[Alfa Aesar MSDS] |
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| 녹는점 | 7.3 °C |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6% (13 of 215) of reports.DangerH302 (19.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P321, P330, P331, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 215 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Benzene, cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, cyclohexyl- 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: 24-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5362Benzene, cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| 유해성 요약 | A severe skin irritantCauses somnolence and effects on food intake in dermal lethal-dose studies of rabbits[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Biphenyl. |
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| DOT Hazard Classification | PhenylcyclohexaneMarine pollutant |
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| Hazard Classes and Categories | Acute Tox. 4 (19.1%)Skin Irrit. 2 (100%) |
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| Protective Action Criteria (PAC) | 0.81 [mg/m3]8.9 [mg/m3]54 [mg/m3] |
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| 신호 어 | Warning |
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| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315 |
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