1,3-Dihydroxyacetone Dimer
Grundinformationen
- CAS
26776-70-5- Standard-SMILES
OC[C@@]1(O)CO[C@](O)(CO)CO1- InChIKey
KEQUNHIAUQQPAC-OLQVQODUSA-N- Summenformel
- C6H12O6
- Durchschnittliche Molmasse
- 180,16 g/mol
- Monoisotopische Masse
- 180,0633881
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Dihydroxyacetone Dimer
- IUPAC
- (2R,5S)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
- Englischer Name
- 1,3-Dihydroxyacetone dimer
- Summenformel
- C3H6O3
- Molmasse
- 90.08
Namen und Synonyme
1,3-Dihydroxyacetone dimerDTXSID6040165RefChem:414482DTXCID101767981612-947-262147-49-3trans-2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol(2R,5S)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diolrel-(2R,5S)-2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, trans-1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-MFCD29050396
Weitere Namen anzeigen
DIHYDROXYACETONE DIMER1,3-Dihydroxyacetone diMer 97%1,3-Dihydroxyacetone Dimer >1,3-DIHYDROXY-2-PROPANONE DIMER1,3-Dihydroxypropan-2-one diMer2-Propanone,1,3-dihydroxy-, dimer2,5-DIHYDROXYDIOXANE-2,5-DIMETHANOL1,3-Dihydroxyacetone dimer,2,5-Dihydroxydioxane-2,5-dimethanol
MV3DRS5T3HSCHEMBL4071,3-Dihydroxyacetone dimmerDihydroxyacetone (dimeric form)orb2941855KEQUNHIAUQQPAC-OLQVQODUSA-NFEMA NO. 4033 (dimeric form)TSW-00176
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,1
- Polarare Oberfläche (TPSA)
- 99,4 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 144
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility
Slightly soluble in water
Soluble (in ethanol)
Physical DescriptionHygroscopic, crystalline, white to off-white powder; Sweet, cooling, aroma
Physikochemische Eigenschaften
- Schmelzpunkt
- 75 · 75-80 °C (lit.)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- very faint turbidity
- Merck
- 14 · 14,3182
- JECFA Number
- 1716 · 1716
- BRN
- 112910 · 112910
- InChI
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 17.2% (11 of 64) of reports.
Warning
H315 (82.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (82.8%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932.99.9090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Anwendungen
Verwenden1,3-Dihydroxyacetone Dimer is used in the synthesis of dihydropyrimidine calcium channel blockers. Also used in the preparation of a new antineoplastic and antifilarial agents as anticancer agents.
Anbieter56 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
昌邑市隆昌生物化工有限公司+86-13256193735; +86-13256193735 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
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