2,5-Dimethyl-3-hexyne-2,5-diol - CAS 142-30-3
Catalog: |
BB009345 |
Product Name: |
2,5-Dimethyl-3-hexyne-2,5-diol |
CAS: |
142-30-3 |
Synonyms: |
2,5-dimethyl-3-hexyne-2,5-diol; 2,5-dimethylhex-3-yne-2,5-diol |
Application: |
Used as a wire-drawing lubricant, antifoaming agent, coupling agent in resin coatings, and a chemical intermediate for fragrances and peroxide catalysts. |
IUPAC Name: | 2,5-dimethylhex-3-yne-2,5-diol |
Description: | 2,5-Dimethyl-3-hexyne-2,5-diol (CAS# 142-30-3) is a useful research chemical. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CC(C)(C#CC(C)(C)O)O |
InChI: | InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3 |
InChI Key: | IHJUECRFYCQBMW-UHFFFAOYSA-N |
Boiling Point: | 121-123 °C / 7 mmHg (lit.) |
Melting Point: | 95 °C |
Flash Point: | 284 °F |
Purity: | 98 % |
Density: | 1.023 g/cm3 |
Solubility: | Sol in water; very sol in alcohol, Ether, Acetone; very sol in benzene; sol in chloroform |
Appearance: | White crystals |
MDL: | MFCD00004468 |
LogP: | 0.53160 |
Refractive Index: | n20/D 1.4381 (lit.) |
Vapor Pressure: | 0.00981 [mmHg] |
GHS Hazard Statement: | H317 (64.08%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P285, P302+P352, P304+P341, P305+P351+P338, P321, P333+P313, P337+P313, P342+P311, P363, and P501 |
Signal Word: | Danger |
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Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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