Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 6436366생성일: 2026년 10월 27일
(Z)-9-옥타데카노익산 3-하이드록시-2,2-비스(하이드록시메틸)프로필 에스테르
(Z)-9-옥타데카노익산3-하이드록시-2,2-비스(하이드록시메틸)프로필에스테르 · 3-하이드록시-2,2-비스(하이드록시메틸)프로필올레에이트 · Ai3-07501 · Einecs 233-723-7 · Pentaerythrityl monooleate · Pentaerythritol oleate (PEO) · 3-hydroxy-2,2-bis(hydroxymethyl)propyl oleate · Oleic acid 2,2-bis(hydroxymethyl)-3-hydroxypropyl ester
https://huagongshe.com/ko/chemical/6436366
식별자 및 물리적 특성
| CAS No. | 10332-32-8 |
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| 분자식 | C23H44O5 |
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| 평균 분자량 | 400.6 g/mol |
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| 단동위원소 질량 | 400.31887451 g/mol |
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| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO |
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| InChIKey | QQVGEJLUEOSDBB-KTKRTIGZSA-N |
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| PubChem CID | 6436366 |
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| EC No. | 233-723-7 |
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| DTXSID | DTXSID30893109 |
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| 현지명 | (Z)-9-옥타데카노익산 3-하이드록시-2,2-비스(하이드록시메틸)프로필 에스테르 |
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화학 및 물리적 성질
| XLogP | 5.7 |
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| 극성 표면적 | 87 |
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| 수소 결합 공여자 수 | 3 |
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| 수소 결합 수용자 수 | 5 |
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| 회전 가능 결합 수 | 21 |
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| 무거운 원자 수 | 28 |
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| 형식 전하 | 0 |
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| 복잡도 | 369 |
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| Physical Description | Liquid |
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| 끓는 점 | 523.6±50.0 °C(Predicted) |
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| 밀도 | 1.006±0.06 g/cm3(Predicted) |
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| pKa(산도 계수) | 13.51±0.10(Predicted) |
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| InChI | InChI=1S/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h9-10,24-26H,2-8,11-21H2,1H3/b10-9- |
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| InChIKey | QQVGEJLUEOSDBB-KTKRTIGZSA-N |
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| SMILES | C(OCC(CO)(CO)CO)(=O)CCCCCCC/C=C\CCCCCCCC |
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| EPA | 9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester (10332-32-8) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (59 of 59) of all reports.Not ClassifiedAggregated GHS information provided per 59 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: 9-Octadecenoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propylester, (Z)-9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester 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)9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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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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| EPA Safer Chemical | Chemical: Pentaerythritol monooleate |
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| Hazard Classes and Categories | Not Classified |
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| TSCA 등재 상태 | TSCA listed |
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| 기존화학 물질 | KE-26486 |
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