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Basic Information
CAS No.: 6963-44-6
Name: 1,5-Diacetoxypentane
Article Data: 34
Molecular Structure:
Molecular Structure of 6963-44-6 (1,5-Diacetoxypentane)
Formula: C9H16 O4
Molecular Weight: 188.224
Synonyms: 1,5-Pentanediol,diacetate (6CI,7CI,8CI,9CI); 1,5-Diacetoxypentane; 1,5-Pentanediyl diacetate;1,5-Pentylene glycol diacetate; NSC 53781; Pentamethylene diacetate
EINECS: 230-161-4
Density: 1.022 g/cm3
Melting Point: 2°C
Boiling Point: 246.5 ºC at 760 mmHg
Flash Point: 114.1 ºC
PSA: 52.60000
LogP: 1.28290
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Chemistry

Molecular Structure of 1,5-Diacetoxypentane (CAS NO.6963-44-6):

IUPAC Name: 5-Acetyloxypentyl acetate 
Molecular Formula: C9H16O4
Molecular Weight: 188.22
EINECS: 230-161-4 
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 4
Index of Refraction: 1.427
Molar Refractivity: 47.29 cm3
Molar Volume: 184 cm3
Surface Tension: 32.5 dyne/cm
Density: 1.022 g/cm3
Flash Point: 114.1 °C
Enthalpy of Vaporization: 48.36 kJ/mol
Boiling Point: 246.5 °C at 760 mmHg
Vapour Pressure: 0.027 mmHg at 25 °C
Canonical SMILES: CC(=O)OCCCCCOC(=O)C
InChI: InChI=1S/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3
InChIKey: PIJBVCVBCQOWMM-UHFFFAOYSA-N

Safety Profile

Safety Information of 1,5-Diacetoxypentane (CAS NO.6963-44-6):
WGK Germany: 3

Specification

 1,5-Diacetoxypentane (CAS NO.6963-44-6), its Synonyms are 1,5-Pentanediol diacetate ; Pentamethylene acetate ; 1,5-Pentanediol, 1,5-diacetate ; Pentane-1,5-diyl diacetate .