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115823-68-2

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Basic Information
CAS No.: 115823-68-2
Name: 1-Chloro-2-methyl-3-pentyn-2-ol
Molecular Structure:
Molecular Structure of 115823-68-2 (1-Chloro-2-methyl-3-pentyn-2-ol)
Formula: C6H9ClO
Molecular Weight: 132.59
Synonyms: 1-Chloro-2-methyl-3-pentyn-2-ol;
Density: 1.106 g/cm3
Boiling Point: 198.6 °C at 760 mmHg
Flash Point: 73.9 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 20.23000
LogP: 0.99950
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Specification

The 1-Chloro-2-methyl-3-pentyn-2-ol, with the CAS registry number 115823-68-2, is also known as 3-Pentyn-2-ol, 1-chloro-2-methyl-. This chemical's molecular formula is C6H9ClO and molecular weight is 132.59. What's more, its systematic name is called 1-Chloro-2-methyl-pent-3-yn-2-ol.

Physical properties about 1-Chloro-2-methyl-3-pentyn-2-ol are: (1) ACD/LogP: 1.14; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.14; (4) ACD/LogD (pH 7.4): 1.14; (5) #H bond acceptors: 1; (6) #H bond donors: 1; (7) #Freely Rotating Bonds: 2; (8) Polar Surface Area: 20.23 Å2; (9) Index of Refraction: 1.482; (10) Molar Refractivity: 34.2 cm3; (11) Molar Volume: 119.8 cm3; (12) Surface Tension: 38.9 dyne/cm; (13) Density: 1.106 g/cm3; (14) Flash Point: 73.9 °C; (15) Enthalpy of Vaporization: 50.59 kJ/mol; (16) Boiling Point: 198.6 °C at 760 mmHg; (17) Vapour Pressure: 0.0898 mmHg at 25 °C; (18) Polarizability: 13.55×10-24 cm3. 

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact 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: CC#CC(C)(CCl)O
(2) InChI: InChI=1/C6H9ClO/c1-3-4-6(2,8)5-7/h8H,5H2,1-2H3
(3) InChIKey: IXTKIQFZYANJQU-UHFFFAOYAH