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15476-85-4

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Basic Information
CAS No.: 15476-85-4
Name: 2-[(1,1-dimethylethyl)dioxy]ethanol
Article Data: 7
Molecular Structure:
Molecular Structure of 15476-85-4 (2-[(1,1-dimethylethyl)dioxy]ethanol)
Formula: C6H14O3
Molecular Weight: 134.175
Synonyms: Ethanol,2-(tert-butyldioxy)- (8CI);Peroxide, tert-butyl 2-hydroxyethyl (6CI);1-tert-Butylperoxy-2-ethanol;2-(tert-Butyldioxy)ethanol;2-(tert-Butylperoxy)ethanol;Peroxide, 1,1-dimethylethyl 2-hydroxyethyl;tert-Butyl 2-hydroxyethyl peroxide;tert-Butyl b-hydroxyethyl peroxide;b-Hydroxyethyl tert-butyl peroxide;
EINECS: 239-498-1
Density: 0.973 g/cm3
Boiling Point: 154.4 °C at 760 mmHg
Flash Point: 47.2 °C
PSA: 38.69000
LogP: 0.72540
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Specification

The CAS registry number of Ethanol,2-[(1,1-dimethylethyl)dioxy]- is 15476-85-4. This chemical is also named as 2-[(1,1-Dimethylethyl)dioxy]ethanol. Its EINECS registry number is 239-498-1. In addition, its molecular formula is C6H14O3 and molecular weight is 134.17356. Its systematic name and IUPAC name are the same which is called 2-(tert-butylperoxy)ethanol.

Physical properties about Ethanol,2-[(1,1-dimethylethyl)dioxy]- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.12; (6)ACD/BCF (pH 7.4): 6.12; (7)ACD/KOC (pH 5.5): 127.31; (8)ACD/KOC (pH 7.4): 127.31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.419; (13)Molar Refractivity: 34.83 cm3; (14)Molar Volume: 137.8 cm3; (15)Surface Tension: 29.7 dyne/cm; (16)Density: 0.973 g/cm3; (17)Flash Point: 47.2 °C; (18)Enthalpy of Vaporization: 45.56 kJ/mol; (19)Boiling Point: 154.4 °C at 760 mmHg; (20)Vapour Pressure: 1.17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCOOC(C)(C)C
(2)InChI: InChI=1/C6H14O3/c1-6(2,3)9-8-5-4-7/h7H,4-5H2,1-3H3
(3)InChIKey: FJAUCWNKOXKMHB-UHFFFAOYAV