5-Methyl-2-hexanol - CAS 627-59-8
Catalog: |
BB031782 |
Product Name: |
5-Methyl-2-hexanol |
CAS: |
627-59-8 |
Synonyms: |
5-methylhexan-2-ol |
IUPAC Name: | 5-methylhexan-2-ol |
Description: | 5-Methyl-2-hexanol (CAS# 627-59-8) is a component of essential oils from various plants. It is also used as the carbon-terminal fragment for the synthesis of 6,10,13-Trimethyl-1-tetradecanol having pheromonal activity. |
Molecular Weight: | 116.20 |
Molecular Formula: | C7H16O |
Canonical SMILES: | CC(C)CCC(C)O |
InChI: | InChI=1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3 |
InChI Key: | ZDVJGWXFXGJSIU-UHFFFAOYSA-N |
Boiling Point: | 148-150 °C |
Density: | 0.819 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD00004558 |
LogP: | 1.80340 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111960997-A | Method for synthesizing hydroxyalkyl substituted quinoline derivatives | 20200907 |
CN-112028840-A | Synthetic method of 4-position quinoxalinyl substituted alcohol derivative | 20200907 |
CN-111960997-B | Method for synthesizing hydroxyalkyl substituted quinoline derivatives | 20200907 |
CN-112028840-B | Synthetic method of 4-position quinoxalinyl substituted alcohol derivative | 20200907 |
US-2021300850-A1 | Systems and Methods for Purifying Solvents | 20200327 |
PMID | Publication Date | Title | Journal |
22836214 | 20120726 | Syntheses of enantiopure aliphatic secondary alcohols and acetates by bioresolution with lipase B from Candida antarctica | Molecules (Basel, Switzerland) |
21895199 | 20110828 | Effect of high hydrostatic pressure on the dielectric relaxation in a non-crystallizable monohydroxy alcohol in its supercooled liquid and glassy states | The Journal of chemical physics |
21280766 | 20110128 | Debye process and dielectric state of an alcohol in a nonpolar solvent | The Journal of chemical physics |
19334849 | 20090328 | Specific heat relaxation of an alcohol and implications for dielectric comparison | The Journal of chemical physics |
17764166 | 20070927 | Structure-dependent dc conductivity and relaxation time in the Debye-Stokes-Einstein equation | The journal of physical chemistry. B |
Complexity: | 50.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.120115130 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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