Tri(2-methyl-2,4-pentanediol)biborate

Base Information

• Chemical Name: Tri(2-methyl-2,4-pentanediol)biborate
• CAS No.: 100-89-0
• Deprecated CAS: 115-81-1,139-04-8,68189-08-2,139-04-8,26545-48-2
• Molecular Formula: C18H36 B2 O6
• Molecular Weight: 370.102
• Hs Code.: 2934999090
• European Community (EC) Number: 202-899-7,247-782-1
• NSC Number: 788
• DSSTox Substance ID: DTXSID30861707
• Nikkaji Number: J53.912K
• Mol file: 100-89-0.mol

Synonyms:100-89-0;Tri(2-methyl-2,4-pentanediol)biborate;USAF BO-1;trihexyleneglycol biborate;Trihexylene glycol biborate;Borester 7;Trihexylene glycol diborate;NSC 788;WT 17;EINECS 202-899-7;BRN 1804905;NSC788;EINECS 247-782-1;4,4,6-trimethyl-2-[2-methyl-4-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]pentan-2-yl]oxy-1,3,2-dioxaborinane;2,4-Pentanediol, 2-methyl-, cyclic borate, 1,1,3-trimethyltrimethylene ester;1,3,2-Dioxaborinane, 2,2'-((1,1,3-trimethyl-1,3-propanediyl)bis(oxy))bis(4,4,6-trimethyl-;1,3,2-Dioxaborinane, 2,2'-((1,1,3-trimethyltrimethylene)dioxy)bis(4,4,6-trimethyl)-;4-01-00-02568 (Beilstein Handbook Reference);Boric acid, tris(1,1,3-trimethyltrimethylene) ester;2-Methyl-2,4-pentanediol ester with boric acid (H3BO3);2-Methylpentane-2,4-diol, ester with orthoboric acid (3:2);1,3,2-Dioxaborinane, 2,2'-[(1,1,3-trimethyl-1,3-propanediyl)bis(oxy)]bis[4,4,6-trimethyl-;2,2'-((1,1,3-Trimethylpropane-1,3-diyl)bis(oxy))bis(4,4,6-trimethyl-1,3,2-dioxaborinane);2,2'-[(1,1,3-Trimethyl-1,3-propanediyl)bis(oxy)]bis[4,4,6-trimethyl-1,3,2-dioxaborinane];2,2'-[(1,1,3-Trimethylpropane-1,3-diyl)bis(oxy)]bis[4,4,6-trimethyl-1,3,2-dioxaborinane];2,4-Pentanediol, 2-methyl-, ester with boric acid (H3-B-O3) (1:2) cyclic bis(1,1,3-trimethylmethylene) ester;2-[1,1-dimethyl-3-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]butoxy]-4,4,6-trimethyl-1,3,2-dioxaborinane;26545-48-2;2-(1,1-Dimethyl-3-((4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy)butoxy)-4,4,6-trimethyl-1,3,2-dioxaborinane;2-{1,1-dimethyl-3-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]butoxy}-4,4,6-trimethyl-1,3,2-dioxaborinane;starbld0016702;SCHEMBL2301377;DTXSID30861707;NSC-788;C18H36B2O6;C18H40B2O8;AKOS024323641;C18-H36-B2-O6;C18-H40-B2-O8;LS-101666;FT-0631530;W-109376;2,4-Pentanediol, 2-methyl-, ester with boric acid (3:2);2,4-Pentanediol, 2-methyl-, ester with boric acid (H3BO3);2,4-Pentanediol, 2-methyl-, ester with boric acid (H3BO3) (3:2);WLN: T8OBOBOTJ BOX3 & 1 & 1 DOX3 & 1 & 1 F1 F1 H1;1,2-Dioxaborinane, 2,2'-[(1,1,3-trimethyl-1,3-propanediyl)bis(oxy)]bis[4,4,6-trimethyl-;1,2-Dioxaborinane, 2,2'-[(1,1,3-trimethyltrimethylene)dioxy]bis[4,4,6-trimethyl]-;1,3,2-Dioxaborinane, 2,2'-[(1,1,3-trimethyltrimethylene)dioxy]bis[4,4,6-trimethyl];2, 2-methyl-, ester with boric acid(H3BO3)(1:2)cyclic bis(1,1,3-trimethylmethylene)ester;2,2'-(2-methylpentane-2,4-diyl)bis(oxy)bis(4,4,6-trimethyl-1,3,2-dioxaborinane);1,3,2-Dioxaborinane, 2,2'-[(1,1,3-trimethyl-1,3-propanediyl)bis(oxy)]bis(4,4,6-trimethyl)-;2, 2-methyl-, ester with boric acid (H3BO3) (1:2) cyclic bis(1,1,3-trimethylmethylene) ester;2,4-Pentanediol, 2-methyl-, ester with boric acid (H3BO3) (1:2) cyclic bis(1,1,3-trimethylmethylene) ester;2,4-Pentanediol, 2-methyl-, ester with boric acid(H3BO3)(1:2)cyclic bis(1,1,3-trimethylmethylene)ester

Chemical Property of Tri(2-methyl-2,4-pentanediol)biborate

Chemical Property:

• Boiling Point: 345.4°Cat760mmHg
• Flash Point: 162.7°C
• PSA: 55.38000
• Density: 0.99g/cm³
• LogP: 3.75460
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 370.2697992
• Heavy Atom Count: 26
• Complexity: 471

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(CC(O1)(C)C)C)OC(C)CC(C)(C)OB2OC(CC(O2)(C)C)C
• Uses: Gasoline additive, chemical intermediate.

Technology Process of Tri(2-methyl-2,4-pentanediol)biborate

There total 3 articles about Tri(2-methyl-2,4-pentanediol)biborate 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:

2-methyl-2,4-pentanediol (107-41-5) → tris{2-methyl pentane diol(2.4)ato}diborane (100-89-0)

Guidance literature:

With boric acid; toluene; unter Entfernen des entstehenden Wassers;

DOI:10.1021/ie50566a023

Reference yield:

2-methyl-2,4-pentanediol (107-41-5) + 2-ethoxy-4,4,6-trimethyl-1,3,2-dioxaborinane (52386-21-7) → tris{2-methyl pentane diol(2.4)ato}diborane (100-89-0)

Guidance literature:

In benzene;

DOI:10.1039/jr9620001032

Reference yield:

→ tris{2-methyl pentane diol(2.4)ato}diborane (100-89-0)

Guidance literature:

2-Methyl-pentandiol-(2,4) <4 Mol>, Tetraacetylpyroborat;

upstream raw materials:

2-methyl-2,4-pentanediol

2-ethoxy-4,4,6-trimethyl-1,3,2-dioxaborinane

Downstream raw materials:

4,4,6-trimethyl-1,3,2-dioxaborinane

2-Hydroxy-4,4,6-trimethyl-1,3,2-dioxaborinane

4,4,6-trimethyl-2-(triphenylsiloxy)-1,3,2-dioxaborinane

2-cyclohexyl-4,4,6-trimethyl-[1,3,2]dioxaborinane