기본 정보
- 표준 SMILES
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
HDTRYLNUVZCQOY-LIZSDCNHSA-N- 분자식
- C12H22O11
- 평균 분자량
- 342.3 g/mol
- 단동위원소 질량
- 342.11621152
개요
Alpha,alpha-trehalose is a trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. It has a role as a geroprotector, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite.
이름 및 식별자
- 우선 이름
- Trehalose
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
- 현지명
- 트레할로스
- 영어명
- Trehalose
- 분자식
- C12H22O11
- 분자량
- 342.3
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
99-20-7- PubChem CID
- 7427
- DTXSID
DTXSID3048102- ChEMBL
CHEMBL1236395- ChEBI
CHEBI:16551- UNII
- B8WCK70T7I
- EC Number
- 202-739-6
- Nikkaji
- J4.965D
물성
구조 계산 물성
- XLogP
- -4.2
- 극성 표면적
- 190 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 348
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Trehalose) -> CIR (Cosmetic Ingredient Review)
Humectant; Moisturising
Physical Description
Dihydrate: Solid; [Merck Index] White or nearly white solid; [JECFA] White crystalline powder; [Acros Organics MSDS]
Solid
Collision Cross Section
179.7 Ų [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
173 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
174.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
169.9 Ų [M-H]-
물리화학적 성질
- 녹는점
- 203 °C · 203 °C
- 끓는 점
- 397.76 °C · 397.76°C (rough estimate)
- 밀도
- 1.58 · 1.5800
- 증기압
- 0.001 Pa · 0.001Pa at 25℃
- 굴절률
- 197 ° · 197 ° (C=7, H2O)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- Soluble in water; very slightly soluble in ethanol (95%); practically insoluble in ether.
- 산도 계수 (pKa)
- 12.53 · 12.53±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 용해됩니다.
- Merck
- 14 · 14,9580
- 화장품 원료 기능
- 보습제보습
- LogP
- 0 at · 0 at 25℃
- EPA
- Trehalose (99-20-7)
화학적 성질
Trehalose occurs as virtually odorless, white or almost white crystals with a sweet taste (approximately 45% of the sweetness of sucrose).
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.8% (429 of 430) of all reports.
Not Classified
Aggregated GHS information provided per 430 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: .alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl
Status: Active Update: 02-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26864
.alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl: Does not have an individual approval but may be used under an appropriate group standard
독성 정보
안전 데이터
- wgk
- WGK 1
- tsca
- TSCA listed
- HS 번호
- 29400090
- risk_code
- 38
- hazard_code
- Xi
- safety_code
- 37/39-26
- 기존화학 물질
- 2004-3-2874
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
용도 및 제조
Uses
CIR ingredient: Trehalose
Disaccharide present in fungi, bacteria, yeasts, and insects; Used to stabilize cells during freeze-drying and air-drying, as a sweetener and stabilizer in foods, and as an additive in cosmetics; [Merck Index] Used as a texturizer, stabilizer, humectant, and sweetener in foods; [JECFA]
Use Classification
Food Additives -> HUMECTANT; STABILIZER; SWEETENER; TEXTURIZER; THICKENER -> JECFA Functional Classes
Food Additives -> HUMECTANT; STABILIZER; SWEETENER; TEXTURIZER; THICKENER -> JECFA Functional Classes
Cosmetics -> Humectant; Moisturising
응용 분야
용도trehalose is a humectant and moisturizer, it helps bind water in the skin and increase the skin’s moisture content. It is a naturally occurring plant sugar.
제조 방법
생산 방법Trehalose is prepared from liquefied starch by a multistep enzymatic process. The commercial product is the dihydrate.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.
관련 반응
연결된 노트
불러오는 중…