3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

Base Information

• Chemical Name: 3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• CAS No.: 1455-42-1
• Deprecated CAS: 89744-28-5,1429293-67-3
• Molecular Formula: C15H28O6
• Molecular Weight: 304.384
• Hs Code.: 29329990
• European Community (EC) Number: 604-479-2,932-643-6
• DSSTox Substance ID: DTXSID1075434
• Nikkaji Number: J40.646E
• Wikidata: Q72508735
• Mol file: 1455-42-1.mol

Synonyms:1455-42-1;3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane;2,2'-(2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methylpropan-1-ol);C15H28O6;2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol;2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, beta3,beta3,beta9,beta9-tetramethyl-;Bis(Hydroxypivalaldehyde)pentaerythritolacetal cyclic acetal;2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-diethanol, beta3,beta3,beta9,beta9-tetramethyl-;2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, .beta.,.beta.,.beta.',.beta.'-tetramethyl-;SCHEMBL44322;DTXSID1075434;SCHEMBL20664802;BAA45542;MFCD00059794;AKOS015841774;CS-W012098;AS-73251;B1158;FT-0614789;E77942;EC 485-230-3;A808386;Bis(hydroxypivalaldehyde) pentaerythritol acetal cyclic acetal;Bis(hydroxypivalaldehyde) Pentaerythritolacetal Cyclic Acetal;2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-diethanol, beta,beta,beta',beta'-tetramethyl-;3,9-Bis(1,1-dimethyl-2-hydroxy ethyl-2,4,8,10-tetraoxa spiro(5,5) undecane;3,9-bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro-[5.5]undecane;3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane;3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane;2-[9-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]-2-methylpropan-1-ol

Chemical Property of 3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

Chemical Property:

• Vapor Pressure: 2.3E-09mmHg at 25°C
• Melting Point: 198-200 °C
• Refractive Index: 1.506
• Boiling Point: 434.2 °C at 760 mmHg
• PKA: 14.38±0.10(Predicted)
• Flash Point: 216.4 °C
• PSA: 77.38000
• Density: 1.16 g /cm³
• LogP: 0.75560
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in hot Methanol
• Water Solubility.: 168mg/L at 20℃
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 304.18858861
• Heavy Atom Count: 21
• Complexity: 301

Purity/Quality:

99.9% ^*data from raw suppliers

3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO

Technology Process of 3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

There total 2 articles about 3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

2,2-dimethyl-3-hydroxypropionaldehyde (597-31-9) + Pentaerythritol (115-77-5) → 3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane (1455-42-1)

Guidance literature:

2,2-dimethyl-3-hydroxypropionaldehyde; Pentaerythritol; sulfuric acid; In water; xylene; at 60 ℃; for 14h;

With sodium hydroxide; Conversion of starting material;

Reference yield:

→ 3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane (1455-42-1)

Guidance literature:

aus Pentaldol in W., Pentaerythritol ;

Reference yield: 87.0%

3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane (1455-42-1) + chlorophosphoric acid diphenyl ester (2524-64-3) → C39H46O12P2 (1431135-47-5)

Guidance literature:

With magnesium chloride; In toluene; at 100 ℃; for 5h; Inert atmosphere;

upstream raw materials:

2,2-dimethyl-3-hydroxypropionaldehyde

Pentaerythritol

Downstream raw materials:

C₃₉H₄₆O₁₂P₂

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