Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 79543생성일: 2026년 10월 27일
2-이소부톡시에틸벤조에이트
2-이소부톡시에틸벤조에이트 · 2-butoxyethyl benzoate · 2-butoxy-ethanobenzoate · ISOBUTYL GLYCOL BENZOATE · 2-Butoxyethanol benzoate · 2-ISOBUTOXYETHYL BENZOATE · Ethyl 2-isobutoxybenzoate · ISOBUTYL CELLOSOLVE BENZOATE
https://huagongshe.com/ko/chemical/79543
식별자 및 물리적 특성
| CAS No. | 5451-76-3 |
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| 분자식 | C13H18O3 |
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| 평균 분자량 | 222.28 g/mol |
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| 단동위원소 질량 | 222.12559443 g/mol |
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| SMILES | CCCCOCCOC(=O)c1ccccc1 |
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| InChIKey | NMBQBIACXMPEQB-UHFFFAOYSA-N |
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| PubChem CID | 79543 |
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| EC No. | 226-685-8 |
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| DTXSID | DTXSID50863546 |
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| 현지명 | 2-이소부톡시에틸벤조에이트 |
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화학 및 물리적 성질
| XLogP | 3.1 |
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| 극성 표면적 | 35.5 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 8 |
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| 무거운 원자 수 | 16 |
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| 형식 전하 | 0 |
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| 복잡도 | 186 |
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| Physical Description | Liquid |
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| 끓는 점 | 156.5-157.0 °C(Press: 14.5 Torr) |
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| 밀도 | 1.0277 g/cm3(Temp: 25 °C) |
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| 증기압 | 0.028Pa at 20℃ |
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| 용해도 | 106mg/L at 20℃ |
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| LogP(분배 계수) | 3.77 at 30℃ |
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| EPA | Ethanol, 2-butoxy-, benzoate (5451-76-3) |
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안전 및 규제
| GHS 분류 | WarningH302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]H411 (95.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| 규제 정보 | Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate 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: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065 |
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| Hazard Classes and Categories | Acute Tox. 4 (96.3%)Aquatic Chronic 2 (95.4%) |
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| TSCA 등재 상태 | TSCA listed |
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