식별자 및 물리적 특성
| CAS No. | 97-95-0 |
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| 분자식 | C6H14O |
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| 평균 분자량 | 102.17 g/mol |
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| 단동위원소 질량 | 102.10446507 g/mol |
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| SMILES | CCC(CC)CO |
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| InChIKey | TZYRSLHNPKPEFV-UHFFFAOYSA-N |
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| PubChem CID | 7358 |
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| ChEMBL | CHEMBL3181836 |
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| EC No. | 202-621-4 |
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| DTXSID | DTXSID2041416 |
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화학 및 물리적 성질
| XLogP | 1.6 |
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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 | 3 |
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| 무거운 원자 수 | 7 |
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| 형식 전하 | 0 |
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| 복잡도 | 31.2 |
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| 물질 분류 | Flammable agents - 2nd degree |
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| Solvents | Solvents -> Alcohols (<C12) |
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| SpringerMaterials Properties | Boiling point |
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| 향료 | Fragrance Ingredient (2-Ethyl-1-butanol) -> IFRA transparency List |
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| LogP(분배 계수) | 1.78 |
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| 밀도 | 0.834 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8326 @ 20 °C/4 °C0.8326 g/cm3 |
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| 향미제 | EU Flavoring substances |
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| Color/Form | COLORLESS LIQUID |
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| 용해도 | SLIGHTLY SOL IN WATERSOL IN ALCOHOL, ETHERMISCIBLE WITH MOST ORGANIC SOLVENTS |
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| 인화점 | 128 °F (USCG, 1999)137 °F OC. |
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| 끓는 점 | 293 °F at 760 mmHg (USCG, 1999)146.27 °C @ 760 MM HG |
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| 녹는점 | -173 °F (USCG, 1999)LESS THAN -15 °C<-15 °C |
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| pKa(산도 계수) | 15.05±0.10(Predicted) |
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안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 2.6% (11 of 419) of reports.H226 (34.8%): Flammable liquid and vapor [Warning Flammable liquids] |
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| 규제 정보 | Chemical: 1-Butanol, 2-ethyl-1-Butanol, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 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)Status: Active Update: 05-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31751Ethylbutanol: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| 운송 라벨(DOT) | Flammable Liquid |
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| 화재 위험 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
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| 화재 가능성 | COMBUSTIBLE.MODERATE, WHEN EXPOSED TO HEAT OR FLAMECAN REACT WITH OXIDIZING MATERIALS. |
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| 건강 유해성 | Liquid causes eye burns. Vapors may be mildly irritating to nose and throat. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
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| 유해성 요약 | May burn eyesA mild nose and throat irritant[CAMEO] A nose and throat irritantA severe eye irritant, based on animal studiesInhalation of high concentrations can cause CNS depression[CHEMINFO] An irritantCan be absorbed through skin |
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