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CAS No.: | 10024-58-5 |
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Name: | 1,2-ethanediylbis(oxy-2,1-ethanediyl) didecanoate |
Molecular Structure: | |
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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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
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. |
Reported in EPA TSCA Inventory.
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) (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 .