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Decanoic acid, diester with triethylene glycol (mixed isomers)

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Name

Decanoic acid, diester with triethylene glycol (mixed isomers)

EINECS N/A
CAS No. 10024-58-5 Density 0.96g/cm3
PSA 71.06000 LogP 6.38740
Solubility N/A Melting Point N/A
Formula C26H50 O6 Boiling Point 521°Cat760mmHg
Molecular Weight 458.679 Flash Point 216.1°C
Transport Information N/A Appearance N/A
Safety Mildly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 10024-58-5 (1,2-ethanediylbis(oxy-2,1-ethanediyl) didecanoate) Hazard Symbols N/A
Synonyms

Decanoicacid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester (9CI); Decanoic acid, diesterwith triethylene glycol (6CI,7CI,8CI); 1,2-Ethanediylbis(oxy-2,1-ethanediyl)didecanoate; Didecanoyltriethyleneglycol ester; Triethylene glycol dicaprate

 

Decanoic acid, diester with triethylene glycol (mixed isomers) Chemical Properties

Molecule structure of Decanoic acid, diester with triethylene glycol (mixed isomers) (CAS NO.10024-58-5):

IUPAC Name: 2-[2-(2-Decanoyloxyethoxy)ethoxy]ethyl decanoate 
Molecular Weight: 458.6716 g/mol
Molecular Formula: C26H50O6 
Density: 0.96 g/cm3 
Boiling Point: 521 °C at 760 mmHg 
Flash Point: 216.1 °C
Index of Refraction: 1.455
Molar Refractivity: 129.54 cm3
Molar Volume: 477.3 cm3
Polarizability: 51.35×10-24 cm3
Surface Tension: 34.3 dyne/cm 
Enthalpy of Vaporization: 79.42 kJ/mol
Vapour Pressure: 5.9E-11 mmHg at 25 °C
XLogP3-AA: 7.9
H-Bond Acceptor: 6
Rotatable Bond Count: 27
Exact Mass: 458.360739
MonoIsotopic Mass: 458.360739
Topological Polar Surface Area: 71.1
Heavy Atom Count: 32
Complexity: 375
Canonical SMILES: CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC
InChI: InChI=1S/C26H50O6/c1-3-5-7-9-11-13-15-17-25(27)31-23-21-29-19-20-30-22-24-32-26(28)18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey: KCNIYOMOUYURBQ-UHFFFAOYSA-N
EINECS: 233-025-2 
Classification Code of Decanoic acid, diester with triethylene glycol (mixed isomers) (CAS NO.10024-58-5): Skin / Eye Irritant

Decanoic acid, diester with triethylene glycol (mixed isomers) Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
2.    

orl-rat LD50:7460 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
3.    

skn-rbt LD50:11,200 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

Decanoic acid, diester with triethylene glycol (mixed isomers) Consensus Reports

Reported in EPA TSCA Inventory.

Decanoic acid, diester with triethylene glycol (mixed isomers) Safety Profile

Mildly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.

Decanoic acid, diester with triethylene glycol (mixed isomers) Specification

 Decanoic acid, diester with triethylene glycol (mixed isomers) (CAS NO.10024-58-5) is also named as 4-02-00-01045 (Beilstein Handbook Reference) ; BRN 1808213 ; Didecanoyltriethylene glycol ester (mixed isomers) ; 1,2-Ethanediylbis(oxy-2,1-ethanediyl) didecanoate ; Decanoic acid, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) ester ; Decanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester .

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