Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 100993생성일: 2026년 10월 27일
3,5,5-트리메틸헥사노익 산 이소트리데실 에스테르
3,5,5-트리메틸헥사노익산이소트리데실에스테르 · 이소트리데실3,5,5-트리메틸헥사노에이트 · Wickenol 153 · Einecs 261-675-7 · isotridecyl 3,5,5-trimethylhexanoate · 11-Methyldodecyl 3,5,5-trimethylhexanoate · Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester · Isomeric tetramethyl-1-nonyl 3,5,5-trimethyl hexanoate
https://huagongshe.com/ko/chemical/100993
식별자 및 물리적 특성
| CAS No. | 42131-27-1 |
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| 분자식 | C22H44O2 |
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| 평균 분자량 | 340.6 g/mol |
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| 단동위원소 질량 | 340.33413064 g/mol |
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| SMILES | CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C |
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| InChIKey | WAYINTBTZWQNSN-UHFFFAOYSA-N |
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| PubChem CID | 100993 |
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| EC No. | 261-675-7 |
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| 현지명 | 3,5,5-트리메틸헥사노익 산 이소트리데실 에스테르 |
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화학 및 물리적 성질
| XLogP | 8.9 |
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| 극성 표면적 | 26.3 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 16 |
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| 무거운 원자 수 | 24 |
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| 형식 전하 | 0 |
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| 복잡도 | 302 |
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| 끓는 점 | 161℃[at 101 325 Pa] |
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| 밀도 | 0.86[at 20℃] |
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| 증기압 | 0.001Pa at 20℃ |
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| 냄새 | 100.00?%. 온화한 |
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| 용해도 | 250ng/L at 25℃ |
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| 화장품 원료 기능 | 피부 컨디셔닝 - 보습제피부 컨디셔닝 |
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| LogP(분배 계수) | 9.45 at 25℃ |
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| EPA | Isotridecyl 3,5,5-trimethylhexanoate (59231-37-7) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 24 of 24 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 24 of 24 reports by companies.There are 0 notifications provided by 0 of 24 reports by companies with hazard statement code(s).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 | Chemical: Hexanoic acid, 3,5,5-trimethyl-, isotridecyl esterStatus: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26650Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester: 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. |
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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-34562 |
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