기본 정보
- CAS
3891-59-6- 표준 SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=O)OC(C)=O- InChIKey
UAOKXEHOENRFMP-ZJIFWQFVSA-N- 분자식
- C16H22O11
- 평균 분자량
- 390.34 g/mol
- 단동위원소 질량
- 390.11621151
이름 및 식별자
- 우선 이름
- 2,3,4,5,6-Penta-O-acetyl-D-glucose
- IUPAC
- [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate
- 현지명
- 글루코오스펜타아세테이트
- 영어명
- alpha-D-Glucose pentaacetate
- 분자식
- C16H22O11
- 분자량
- 390.34
이름 및 동의어
3891-59-6Glucose pentaacetateD-Glucose, 2,3,4,5,6-pentaacetateFEMA No. 25242,3,4,5,6-Penta-O-acetyl-D-glucoseDTXSID708780563040885R4NRefChem:143632penta-O-acetylglucopyranoseDTXCID201016119223-439-1(2R,3R,4S,5R)-6-Oxohexane-1,2,3,4,5-pentayl pentaacetate
이름 더 보기
글루코오스펜타아세테이트D-GLUCOSE PENTAACETATEPentaacetylglucose1,2,3,4,6-PENTA-O-ACETYL-D-GLUCOPYRANOSEGlucose acetateGulose pentaacetateA,B-D-GLUCOSE PENTAACETATEalpha-D-Glucose pentaacetateBeta-D-GlucosePentaacetate98%d-Allose, pentaacetate(ester)
MFCD09996912D-Glucose 2,3,4,5,6-pentaacetateGlucose 2,3,4,5,6-pentaacetateUNII-3040885R4ND-Glucose,2,3,4,5,6-pentaacetate2,3,4,5,6-Penta-O-acetylhexose(2R,3R,4S,5R)-1,2,4,5-tetrakis(acetyloxy)-6-oxohexan-3-yl acetateEINECS 223-439-1
데이터베이스 식별자
- CAS
3891-59-6
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 583
실험 및 물리화학적 성질
CosmeticsCosmetic ingredients (Glucose Pentaacetate) -> CIR (Cosmetic Ingredient Review)
LogP0.63
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 녹는점
- 110 °C · 110°C
- 끓는 점
- 435.58 °C · 435.58°C (rough estimate)
- 밀도
- 1.3984 · 1.3984 (rough estimate)
- 굴절률
- 1.5376 · 1.5376 (estimate)
- FEMA
- 2524 · 2524 | GLUCOSE PENTAACETATE
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 냄새 유형
- 냄새 없는
- 수용성
- 1.5 g/L · 1.5g/L(18℃)
- 화장품 원료 기능
- 유화 안정화
- InChI
- InChI=1S/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3/t13-,14+,15+,16+/m0/s1
- InChIKey
- UAOKXEHOENRFMP-ZJIFWQFVSA-N
- SMILES
- O=C[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C
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% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: D-Glucose, 2,3,4,5,6-pentaacetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
D-Glucose, 2,3,4,5,6-pentaacetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - D-Glucose, 2,3,4,5,6-pentaacetate: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 29400090
- 기존화학 물질
- KE-17751
화학 및 산업
용도 및 제조
UsesCIR ingredient: Glucose Pentaacetate
General Manufacturing InformationD-Glucose, 2,3,4,5,6-pentaacetate: ACTIVE
제조 방법
By acetylation of glucose using any number of techniques, including ZnCl2 and pyridine, sodium acetate, and acetic anhydride and pyridine.
상·하류 제품 정보
상류 원료
공급사99 곳
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉远启医药化工有限公司18971192297 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
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