기본 정보
- CAS
79072-96-1- 표준 SMILES
CCc1ccc(C2OC3COC(c4ccc(CC)cc4)OC3C(C(O)CO)O2)cc1- InChIKey
RPMMDFYGVMKCJU-UHFFFAOYSA-N- 분자식
- C24H30O6
- 평균 분자량
- 414.5 g/mol
- 단동위원소 질량
- 414.20423867
이름 및 식별자
- 우선 이름
- 2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol
- IUPAC
- 1-[2,6-bis(4-ethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
- 현지명
- 1,3:2,4-BIS-O-(P-에틸벤질리덴)-D-글루시톨
- 영어명
- 1,3:2,4-Bis-O-(p-ethylbenzylidene)-D-glucitol
- 분자식
- C24H30O6
- 분자량
- 414.49
이름 및 동의어
2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diolHexitol, 1,3:2,4-bis-O-[(4-ethylphenyl)methylene]-EC 406-176-91,3:2,4-Bis-O-[(4-ethylphenyl)methylene]hexitolHexitol, 1,3:2,4-bis-O-((4-ethylphenyl)methylene)-1,3:2,4-Bis-O-((4-ethylphenyl)methylene)hexitolRefChem:445212406-176-979072-96-11-[2,6-bis(4-ethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diolbis(4-ethylbenzylidene)sorbitolSCHEMBL12064701
이름 더 보기
1,3:2,4-BIS-O-(P-에틸벤질리덴)-D-글루시톨1,3:2,4-Bis-O-(p-ethylbenzylidene)-D-glucitol
DTXSID50893646RPMMDFYGVMKCJU-UHFFFAOYSA-NNS000100621-[2,6-Bis(4-ethylphenyl)tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 77.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 514
실험 및 물리화학적 성질
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
물리화학적 성질
- 끓는 점
- 605.4 · 605.4±50.0 °C(Predicted)
- 밀도
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- 증기압
- 0.005 · 0.005-0.005Pa at 20℃
- 산도 계수 (pKa)
- 13.26 · 13.26±0.20(Predicted)
- 수용성
- 43.8 μg/L · 43.8μg/L at 20℃
- LogP
- 1.6 at · 1.6 at 25℃
- EPA
- 1 · Hexitol, 1,3:2,4-bis-O-[(4-ethylphenyl)methylene]- (79072-96-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Hexitol, 1,3:2,4-bis-O-[(4-ethylphenyl)methylene]-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2,6-bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol (EC: 406-176-9)
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-03129
화학 및 산업
용도 및 제조
General Manufacturing InformationHexitol, 1,3:2,4-bis-O-[(4-ethylphenyl)methylene]-: ACTIVE
공급사9 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
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