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51268-87-2

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Basic Information
CAS No.: 51268-87-2
Name: 3-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-PROPANOL
Article Data: 21
Molecular Structure:
Molecular Structure of 51268-87-2 (3-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-PROPANOL)
Formula: C8H16O3
Molecular Weight: 160.213
Synonyms: (S)-2,2-Dimethyl-1,3-dioxolane-4-propanol;
Density: 0.996 g/cm3
Boiling Point: 221 °C at 760 mmHg
Flash Point: 103.7 °C
Appearance: clear yellow oily liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37
Safety: 37/39-26
PSA: 38.69000
LogP: 0.91040
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Specification

The 1,3-Dioxolane-4-propanol,2,2-dimethyl-, (4S)-, with the CAS registry number 51268-87-2, is also known as (S)-2,2-Dimethyl-1,3-dioxolane-4-propanol. This chemical's molecular formula is C8H16O3 and molecular weight is 160.2108. What's more, both its IUPAC name and systematic name are the same which is 3-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]propan-1-ol.

Physical properties about 1,3-Dioxolane-4-propanol,2,2-dimethyl-, (4S)- are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.62; (8)ACD/KOC (pH 7.4): 24.62; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 41.86 cm3; (15)Molar Volume: 160.8 cm3; (16)Polarizability: 16.59×10-24 cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 103.7 °C; (20)Enthalpy of Vaporization: 53.19 kJ/mol; (21)Boiling Point: 221 °C at 760 mmHg; (22)Vapour Pressure: 0.0227 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and respiratory system. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCC[C@@H]1OC(OC1)(C)C
(2) InChI: InChI=1/C8H16O3/c1-8(2)10-6-7(11-8)4-3-5-9/h7,9H,3-6H2,1-2H3/t7-/m0/s1
(3) InChIKey: BSLDYXOPGSOQGZ-ZETCQYMHBV