2-Methyloctanoic Acid - CAS 3004-93-1
Catalog: |
BB020422 |
Product Name: |
2-Methyloctanoic Acid |
CAS: |
3004-93-1 |
Synonyms: |
2-methyloctanoic acid; 2-methyloctanoic acid |
IUPAC Name: | 2-methyloctanoic acid |
Description: | 2-Methyloctanoic Acid (CAS# 3004-93-1 ) is a useful research chemical. |
Molecular Weight: | 158.24 |
Molecular Formula: | C9H18O2 |
Canonical SMILES: | CCCCCCC(C)C(=O)O |
InChI: | InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
InChI Key: | YSEQNZOXHCKLOG-UHFFFAOYSA-N |
Boiling Point: | 253.4 °C at 760 mmHg |
Density: | 0.919 g/cm3 |
MDL: | MFCD00195640 |
LogP: | 2.67750 |
GHS Hazard Statement: | H314 (99.77%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
18979283 | 20090101 | Yeast bioassay for identification of inositol depleting compounds | The world journal of biological psychiatry : the official journal of the World Federation of Societies of Biological Psychiatry |
18445580 | 20080901 | Integration of metabolomic and proteomic phenotypes: analysis of data covariance dissects starch and RFO metabolism from low and high temperature compensation response in Arabidopsis thaliana | Molecular & cellular proteomics : MCP |
16256488 | 20030115 | Binary phase equilibria of three alpha-methyl-substituted sodium alkanoate surfactants | Journal of colloid and interface science |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.130679813 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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