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25724-54-3

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Basic Information
CAS No.: 25724-54-3
Name: Dibenzoic acid 2-ethylhexamethylene ester
Molecular Structure:
Molecular Structure of 25724-54-3 (Dibenzoic acid 2-ethylhexamethylene ester)
Formula: C22H26 O4
Molecular Weight: 354.48
Synonyms: 1,6-Hexanediol,2-ethyl-, dibenzoate (8CI,9CI)
Density: 1.088g/cm3
Boiling Point: 475.6°C at 760 mmHg
Flash Point: 233.8°C
Safety: A poison by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 52.60000
LogP: 4.89690
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    1,6-Hexanediol,2-ethyl-, 1,6-dibenzoate

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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Chemistry

Product Name: Hexanediol, 2-ethyl-, dibenzoate (CAS NO.25724-54-3)


Molecular Formula: C22H26O4
Molecular Weight: 354.48g/mol
Mol File: 25724-54-3.mol
Boiling point: 475.6 °C at 760 mmHg
Flash Point: 233.8 °C
Density: 1.088 g/cm3
Surface Tension: 41.8 dyne/cm
Enthalpy of Vaporization: 73.92 kJ/mol
Vapour Pressure: 3.27E-09 mmHg at 25°C
XLogP3-AA: 5.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Hexanediol, 2-ethyl-, dibenzoate (CAS NO.25724-54-3):
  IUPAC Name: (6-benzoyloxy-2-ethylhexyl) benzoate
  Canonical SMILES: CCC(CCCCOC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2
  InChI: InChI=1S/C22H26O4/c1-2-18(17-26-22(24)20-14-7-4-8-15-20)11-9-10-16-25-21(23)19-12-5-3-6-13-19/h3-8,12-15,18H,2,9-11,16-17H2,1H3 
  InChIKey: CVQOBYGTHWIAGJ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 29200uL/kg (29.2mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Safety Profile

A poison by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Hexanediol, 2-ethyl-, dibenzoate , its CAS NO. is 25724-54-3, the synonyms are Benzoic acid, 2-ethylhexanediol diester ; CID33153 .