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Basic Information
CAS No.: 10024-58-5
Name: 1,2-ethanediylbis(oxy-2,1-ethanediyl) didecanoate
Molecular Structure:
Molecular Structure of 10024-58-5 (1,2-ethanediylbis(oxy-2,1-ethanediyl) didecanoate)
Formula: C26H50 O6
Molecular Weight: 458.679
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
Density: 0.96g/cm3
Boiling Point: 521°Cat760mmHg
Flash Point: 216.1°C
Safety: Mildly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 71.06000
LogP: 6.38740
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  • Decanoic acid,1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester

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  • 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate

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    10024-58-5

    2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate

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  • Decanoic acid,1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester

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    Decanoic acid,1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester

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  • 1,2-ethanediylbis(oxy-2,1-ethanediyl) didecanoate

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    1,2-ethanediylbis(oxy-2,1-ethanediyl) didecanoate

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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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

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 .