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680596-79-6

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Basic Information
CAS No.: 680596-79-6
Name: 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER
Article Data: 25
Molecular Structure:
Molecular Structure of 680596-79-6 (1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID, PINACOL ESTER)
Formula: C14H23 B O4
Molecular Weight: 266.145
Synonyms: 2-(1,4-Dioxaspiro[4.5]dec-8-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene
Density: 1.08g/cm3
Melting Point: 60-62°C
Boiling Point: 313.9°C at 760 mmHg
Flash Point: 143.7°C
Risk Codes: R36/37/38
PSA: 36.92000
LogP: 2.47120
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Chemistry

Empirical Formula: C14H23BO4
Molecular Weight: 266.141g/mol
Structure of 1,4-Dioxaspiro[4.5]dec-7-ene,8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- (CAS NO.680596-79-6):

Index of Refraction: 1.491
Molar Refractivity: 70.88 cm3
Molar Volume: 244.4 cm3
Polarizability: 28.1×10-24cm3
Surface Tension: 34 dyne/cm
Density: 1.08 g/cm3
Flash Point: 143.7 °C
Enthalpy of Vaporization: 53.29 kJ/mol 
Physical Appearance: 60-62°C
Boiling Point: 313.9 °C at 760 mmHg
Vapour Pressure: 0.000888 mmHg at 25°C 
Systematic Name: 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILES: O1C2(OCC1)CCC(=C/C2)\B3OC(C)(C)C(O3)(C)C
InChI: InChI=1/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3
InChIKey: JCHWHOHZZYWUMP-UHFFFAOYAS

Safety Profile

Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

  1,4-Dioxaspiro[4.5]dec-7-ene,8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- , its cas register number is 680596-79-6. It also can be called 1,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid, pinacol ester . 1,4-Dioxaspiro[4.5]dec-7-ene,8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- (CAS NO.680596-79-6) is irritating to eyes, respiratory system and skin. So you should wear suitable protective clothing, gloves and eye/face protection.