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7495-78-5

Basic Information
CAS No.: 7495-78-5
Name: 1,4-Diisopropoxybenzene
Article Data: 3
Molecular Structure:
Molecular Structure of 7495-78-5 (1,4-Diisopropoxybenzene)
Formula: C12H18O2
Molecular Weight: 194.274
Synonyms: Benzene,p-diisopropoxy- (8CI);1,4-Diisopropoxybenzene;NSC 407768;p-Diisopropoxybenzene;
Density: 0.951 g/cm3
Boiling Point: 264.8 °C at 760 mmHg
Flash Point: 93 °C
Appearance: oily light salmon-colored liquid
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 18.46000
LogP: 3.26100
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  • 7495-78-5          C12H18O2             1,4-Diisopropoxybenzene

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Specification

The 1,4-Diisopropoxybenzene, with the CAS registry number 7495-78-5, is also known as Benzene, 1,4-bis(1-methylethoxy)-. It belongs to the product category of Benzene Derivates. This chemical's molecular formula is C12H18O2 and formula weight is 194.27. What's more, both its IUPAC name and systematic name are the same which is called 1,4-Bis(propan-2-yloxy)benzene. This chemical is oily light salmon-colored liquid.

Physical properties about this chemical are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 502.28; (6)ACD/BCF (pH 7.4): 502.28; (7)ACD/KOC (pH 5.5): 2984.97; (8)ACD/KOC (pH 7.4): 2984.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 58.05 cm3; (15)Molar Volume: 204.2 cm3; (16)Surface Tension: 29.1 dyne/cm; (17)Density: 0.951 g/cm3; (18)Flash Point: 93 °C; (19)Enthalpy of Vaporization: 48.24 kJ/mol; (20)Boiling Point: 264.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(OC(C)C)cc1)C(C)C
(2)InChI: InChI=1/C12H18O2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10H,1-4H3
(3)InChIKey: HXINKONAVYDDKZ-UHFFFAOYAZ