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100-89-0

Basic Information
CAS No.: 100-89-0
Name: TRIHEXYLENE GLYCOL BIBORATE
Molecular Structure:
Molecular Structure of 100-89-0 (TRIHEXYLENE GLYCOL BIBORATE)
Formula: C18H36 B2 O6
Molecular Weight: 370.102
Synonyms: 2,4-Pentanediol,2-methyl-, cyclic borate, 1,1,3-trimethyltrimethylene ester (6CI);2,4-Pentanediol, 2-methyl-, ester with boric acid (H3BO3) (1:2) cyclicbis(1,1,3-trimethylmethylene) ester (8CI); Boric acid,tris(1,1,3-trimethyltrimethylene) ester (7CI); 1,3,2-Dioxaborinane,2,2'-[(1,1,3-trimethyltrimethylene)dioxy]bis[4,4,6-trimethyl- (8CI);2,2'-[(1,1,3-Trimethylpropane-1,3-diyl)bis(oxy)]bis[4,4,6-trimethyl-1,3,2-dioxaborinane];Borester 7; NSC 788; Tri(2-methyl-2,4-pentanediol)biborate; Trihexylene glycolbiborate; Trihexylene glycol diborate; WT 17
Density: 0.99g/cm3
Boiling Point: 345.4°Cat760mmHg
Flash Point: 162.7°C
Safety: Moderately toxic by intraperitoneal route. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also BORON COMPOUNDS.
PSA: 55.38000
LogP: 3.75460
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Chemistry

IUPAC Name: 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 
Molecular Formula: C18H36B2O6
Molecular Weight: 370.16
Density: 0.99g/cm3
Boiling Point: 345.4°C at 760mmHg
Flash Point: 162.7°C
Properties: Colorless liquid; odor of hexylene glycol. 
Freely Rotating Bonds: 6
Polar Surface Area: 55.38 Å2
Index of Refraction: 1.444
Molar Refractivity: 98.64 cm3
Molar Volume: 370.8 cm3
Polarizability: 39.1× 10-24 cm3
Surface Tension: 29.6 dyne/cm 
Enthalpy of Vaporization: 56.62 kJ/mol
Vapour Pressure: 0.000123 mmHg at 25°C
The Cas Register Number  of Trihexylene glycol biborate is 100-89-0.The chemical synonyms of Trihexylene glycol biborate (CAS NO.100-89-0) are 1,3,2-dioxaborinane, 2,2'-[(1,1,3-trimethyl-1,3-propanediyl)bis(oxy)]bis[4,4,6-trimethyl- ; 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 ; 2,2'-[(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-trimethyltrimethylene)dioxy]bis[4,4,} 6-trimethyl\]- ; 1,3, 2-Dioxaborinane, 2,2'-[(1,1,3-trimethyltrimethylene)dioxy]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-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)- ; 1,3,2-Dioxaborinane, 2,2'-[ (1,1,3-trimethyl-1, 3-propanediyl)bis(oxy)]bis[4,4,6-trimethyl- ; 2, 4-Pentanediol, 2-methyl-, ester with boric acid(H3BO3)(1:2)cyclic bis(1,1,3-trimethylmethylene)ester ;   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-trimethylpropane-1,3-diyl)bis(oxy)]bis[4,4,6-trimethyl-1,3,2-dioxaborinane] ; 2,4-Pentanediol, 2-methyl-, cyclic borate, 1,1,3-trimethyltrimethylene ester .The molecular structure of Trihexylene glycol biborate (CAS NO.100-89-0) is.

Uses

 Trihexylene glycol biborate (CAS NO.100-89-0) is used as organic intermediate.

Toxicity Data With Reference

1.    

ipr-mus LD50:750 mg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also BORON COMPOUNDS.