3-Methyl-3-octanol - CAS 5340-36-3
Catalog: |
BB028202 |
Product Name: |
3-Methyl-3-octanol |
CAS: |
5340-36-3 |
Synonyms: |
3-methyloctan-3-ol |
IUPAC Name: | 3-methyloctan-3-ol |
Description: | 3-Methyl-3-octanol (CAS# 5340-36-3 ) is a useful research chemical. |
Molecular Weight: | 144.25 |
Molecular Formula: | C9H20O |
Canonical SMILES: | CCCCCC(C)(CC)O |
InChI: | InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
InChI Key: | JEWXYDDSLPIBBO-UHFFFAOYSA-N |
Boiling Point: | 127 °C |
Flash Point: | 71.1°C |
Density: | 0.822 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00021847 |
LogP: | 2.72770 |
Refractive Index: | n20/D 1.433(lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22504436 | 20120701 | Two identical nonylphenol monooxygenase genes linked to IS6100 and some putative insertion sequence elements in Sphingomonas sp. NP5 | Microbiology (Reading, England) |
Complexity: | 80.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.151415257 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.151415257 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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