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133008-08-9

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Basic Information
CAS No.: 133008-08-9
Name: (R)-2,2-DIMETHYL-1,3-DIOXOLANE-4-PROPANOL
Article Data: 8
Molecular Structure:
Molecular Structure of 133008-08-9 ((R)-2,2-DIMETHYL-1,3-DIOXOLANE-4-PROPANOL)
Formula: C8H16O3
Molecular Weight: 160.21
Synonyms: (R)-4, 5-Isopropylidene-1-pentanol;
Density: 0.996 g/cm3
Boiling Point: 221.017 °C at 760 mmHg
Flash Point: 103.746 °C
Hazard Symbols: Xi
Risk Codes: 37/38-41-43
Safety: 26-36/37/39
PSA: 38.69000
LogP: 0.91040
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Specification

The (R)-2, 2-Dimethyl-1, 3-dioxolane-4-propanol, with the CAS registry number of 133008-08-9, is also known as (R)-4, 5-Isopropylidene-1-pentanol. This chemical's molecular formula is C8H16O3 and molecular weight is 160.21. What's more, its systematic name is 3-[(4R)-2, 2-Dimethyl-1,3-dioxolan-4-yl]propan-1-ol.

Physical properties about (R)-2, 2-Dimethyl-1, 3-dioxolane-4-propanol are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 25; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 41.862 cm3; (15)Molar Volume: 160.801 cm3; (16)Polarizability: 16.595×10-24 cm3; (17)Surface Tension: 35.691 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 103.746 °C; (20)Enthalpy of Vaporization: 53.193 kJ/mol; (21)Boiling Point: 221.017 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCC[C@H]1OC(C)(C)OC1
(2) InChI: InChI=1/C8H16O3/c1-8(2)10-6-7(11-8)4-3-5-9/h7,9H,3-6H2,1-2H3/t7-/m1/s1
(3) InChIKey: BSLDYXOPGSOQGZ-SSDOTTSWBT