식별자 및 물리적 특성
| CAS No. | 25429-37-2 |
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| 분자식 | C8H10O |
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| 평균 분자량 | 122.16 g/mol |
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| 단동위원소 질량 | 122.07316494 g/mol |
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| SMILES | CCc1ccccc1O |
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| InChIKey | IXQGCWUGDFDQMF-UHFFFAOYSA-N |
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| PubChem CID | 6997 |
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| ChEMBL | CHEMBL321029 |
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| ChEBI | CHEBI:34275 |
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| EC No. | 201-958-4 |
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| DTXSID | DTXSID1022479 |
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화학 및 물리적 성질
| XLogP | 2.5 |
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| 극성 표면적 | 20.2 |
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| 수소 결합 공여자 수 | 1 |
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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 | 9 |
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| 형식 전하 | 0 |
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| 복잡도 | 80.6 |
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| 물질 분류 | Other Classes -> Phenols |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| 향료 | Fragrance Ingredient (2-Ethylphenol) -> IFRA transparency List |
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| LogP(분배 계수) | Log Kow = 2.472.36 |
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| 냄새 | Phenol odor |
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| 밀도 | 1.037 (USCG, 1999) - Denser than waterwill sink1.0146 @ 25 °C |
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| 향미제 | EU Flavoring substances |
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| Color/Form | METASTABLE & STABLE CRYSTAL FORMCOLORLESS LIQUID |
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| 용해도 | less than 1 mg/mL at 72 °F (NTP, 1992)PRACTICALLY INSOL IN WATERFREELY SOL IN ALCOHOLFREELY SOL IN BENZENE, GLACIAL ACETIC ACIDSOL IN ALL PROP IN ETHER, SOL IN ACETONEWater solubility = 5340 mg/l |
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| 인화점 | 173 °F (NTP, 1992)78 °C |
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| 끓는 점 | 400.14 °F at 760 mmHg (NTP, 1992)204.5 °C |
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| 녹는점 | -18 °F (NTP, 1992)18 °C |
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안전 및 규제
| GHS 분류 | DangerH302 (64.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 464 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 99% (104 of 105) of all reports.Not Classified |
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| 규제 정보 | Chemical: Phenol, 2-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Phenol, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-ethyl- 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)Phenol, ethyl-: 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.Phenol, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - Phenol, 2-ethyl-: Environment tier I assessment |
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| 운송 라벨(DOT) | Corrosive |
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| 화재 위험 | Special Hazards of Combustion Products: Emits toxic fumes under fire conditions. (USCG, 1999) |
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| 건강 유해성 | Harmful if swallowed, inhaled, or absorbed through skin. Irritating to mucous membranes, upper respiratory tract, eyes and skin. Can cause damage to the eyes and severe irritation or burn. (USCG, 1999) |
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| 유해성 요약 | A skin, mucous membrane, and upper respiratory tract irritantMay cause damage to eyes[CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] See Phenol. |
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| 반응성 그룹 | Phenols and Cresols |
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