2,5-Dimethyl-2,5-hexanediol - CAS 110-03-2
Catalog: |
BB002583 |
Product Name: |
2,5-Dimethyl-2,5-hexanediol |
CAS: |
110-03-2 |
Synonyms: |
2,5-dimethylhexane-2,5-diol |
Application: |
Used as a chemical intermediate. |
IUPAC Name: | 2,5-dimethylhexane-2,5-diol |
Description: | 2,5-Dimethyl-2,5-hexanediol can be found in the use as a reagent for the synthesis of polymers-based micro devices. |
Molecular Weight: | 146.23 |
Molecular Formula: | C8H18O2 |
Canonical SMILES: | CC(C)(CCC(C)(C)O)O |
InChI: | InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3 |
InChI Key: | ZWNMRZQYWRLGMM-UHFFFAOYSA-N |
Boiling Point: | 214-215 °C (lit.) |
Melting Point: | 86-90 °C (lit.) |
Flash Point: | 126 °C |
Purity: | 98 % |
Density: | 0.898 g/cm3 |
Solubility: | Sol in water; very sol in alcohol, Hot benzene, Chloroform |
Appearance: | White crystalline flakes |
Storage: | Store below +30 °C. |
MDL: | MFCD00004473 |
LogP: | 1.30840 |
Refractive Index: | 1.4429 (estimate) |
GHS Hazard Statement: | H315 (18.49%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21202086 | 20080312 | 2,5-Dimethyl-hexane-2,5-diyl bis-(4-nitro-phen-yl) dicarbonate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 91.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.130679813 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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