trans-4-Methylcyclohexanol - CAS 7731-29-5
Catalog: |
BB035883 |
Product Name: |
trans-4-Methylcyclohexanol |
CAS: |
7731-29-5 |
Synonyms: |
4-methylcyclohexan-1-ol |
IUPAC Name: | 4-methylcyclohexan-1-ol |
Description: | trans-4-Methylcyclohexanol (CAS# 7731-29-5) is a chiral chemical reagent used in the preparation of organic compounds such as 4-Methylcyclohexyl Nitrite. Synthesized through the reduction of ketones. |
Molecular Weight: | 114.19 |
Molecular Formula: | C7H14O |
Canonical SMILES: | CC1CCC(CC1)O |
InChI: | InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3 |
InChI Key: | MQWCXKGKQLNYQG-UHFFFAOYSA-N |
Boiling Point: | 173-175 °C |
Melting Point: | -9.2 °C (cis-isomer) |
Flash Point: | 70 °C c.c. |
Density: | 0.91 g/cm3 |
Solubility: | Other solvents(Soluble) : Ether, Alcohols |
Appearance: | Colorless liquid |
MDL: | MFCD00064171 |
LogP: | 1.55740 |
Vapor Pressure: | 0.29 [mmHg] |
GHS Hazard Statement: | H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
26494014 | 20151101 | Odorant receptor-based discovery of natural repellents of human lice | Insect biochemistry and molecular biology |
22649749 | 20120101 | Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis | Journal of analytical methods in chemistry |
21673800 | 20110101 | Neuronal function and dysfunction of Drosophila dTDP | PloS one |
21818402 | 20110101 | The arouser EPS8L3 gene is critical for normal memory in Drosophila | PloS one |
21864156 | 20110101 | A review of chemosensation and related behavior in aquatic insects | Journal of insect science (Online) |
Complexity: | 62.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.104465066 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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