기본 정보
- CAS
126-14-7- 표준 SMILES
CC(=O)OC[C@H]1O[C@@](COC(C)=O)(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
ZIJKGAXBCRWEOL-SAXBRCJISA-N- 분자식
- C28H38O19
- 평균 분자량
- 678.6 g/mol
- 단동위원소 질량
- 678.20072898
개요
Sucrose octaacetate is a glycoside.
이름 및 식별자
- 우선 이름
- Sucrose Octaacetate
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate
- 현지명
- 수크로오스옥타아세테이트
- 영어명
- Sucrose octaacetate
- 분자식
- C28H38O19
- 분자량
- 678.59
이름 및 동의어
SUCROSE OCTAACETATE126-14-7OctaacetylsucroseFEMA No. 3038DTXSID3042423sucrose octa-acetateNSC-169507V591057TDTXCID1022423[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetatealpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetatesucrose octa acetate
이름 더 보기
수크로오스옥타아세테이트SoaFEMA 3038SUCROSE OCTACETATEOcta Daacetatebitter tasteSucrose octa actate
GlyTouCan:G43789DD((2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-((2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl)oxyoxan-2-yl)methyl acetateRefChem:186404G43789DD204-772-1Octaacetyl sucroseOcta-O-acetyl D-(+)-SucroseOcta-O-acetylsucrose
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 238 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,210
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Disaccharides
Cosmetics
Cosmetic ingredients (Sucrose Octaacetate) -> CIR (Cosmetic Ingredient Review)
Denaturant
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionHygroscopic solid; [Merck Index] Beige hygroscopic powder; [Sigma-Aldrich MSDS]
Collision Cross Section238.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3042423]
물리화학적 성질
- 녹는점
- 82 · 82-85 °C(lit.)
- 끓는 점
- 260 °C · 260 °C(lit.)
- 밀도
- 1.28 · 1.28
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% (117 of 117) of all reports.
Not Classified
Aggregated GHS information provided per 117 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, tetraacetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Sucrose octaacetate (EC: 204-772-1)
Sucrose octaacetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, tetraacetate: Human health tier I assessment
Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [EFSA] A mild skin irritant; [Sigma-Aldrich MSDS]
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
- wgk
- 2
- tsca
- TSCA listed
- rtecs
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Sucrose Octaacetate
Used as an adhesive, denaturant (alcohol), and additive (paper, lacquer, and plastic production); [Merck Index] Used as an inert ingredient (adhesive) in insect repellents, herbicides, flea and tick sprays, and other insecticides; Approved by the FDA for use as a direct and indirect food additive and as a nail-biting and thumb-sucking deterrent in over-the-counter products; [EPA - Inert Reassessment]
Pulp and Paper Processing [Category: Industry]
Household ProductsInformation on 1 consumer products that contain Sucrose octaacetate in the following categories is provided:
Use ClassificationCosmetics -> Denaturant
General Manufacturing Information.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate: ACTIVE
응용 분야
용도Octa-O-acetyl D-(+)-Surcose was used in studies involving human bitter taste receptor hTAS2R46.
제조 방법
May be prepared by heating sucrose, acetamide and sodium acetate; or by acetylation of sucrose using acetic anhydride, zinc chloride and acetic acid.
생산 방법Sucrose octaacetate is typically produced by chemical synthesis; one reported synthetic method is by pyridine-catalyzed acetylation of sucrose.
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
1건
화합물 노트
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