3,5,5-Trimethyl-2-cyclohexen-1-ol - CAS 470-99-5
Catalog: |
BB026221 |
Product Name: |
3,5,5-Trimethyl-2-cyclohexen-1-ol |
CAS: |
470-99-5 |
Synonyms: |
3,5,5-trimethylcyclohex-2-en-1-ol |
IUPAC Name: | 3,5,5-trimethylcyclohex-2-en-1-ol |
Description: | 3,5,5-Trimethyl-2-cyclohexen-1-ol (CAS# 470-99-5 ) is a useful research chemical. |
Molecular Weight: | 140.22 |
Molecular Formula: | C9H16O |
Canonical SMILES: | CC1=CC(CC(C1)(C)C)O |
InChI: | InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h4,8,10H,5-6H2,1-3H3 |
InChI Key: | LDRWAWZXDDBHTG-UHFFFAOYSA-N |
Boiling Point: | 79.5-81.5 °C8 mmHg (lit.) |
Flash Point: | 176 °F |
Purity: | 95 % |
Density: | 0.918 g/cm3 |
Solubility: | water, 1014 mg/L @ 25 °C (est) |
Appearance: | Clear colorless liquid |
MDL: | MFCD00001554 |
LogP: | 2.11360 |
Refractive Index: | n20/D 1.472(lit.) |
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PMID | Publication Date | Title | Journal |
19018595 | 20081201 | New attractants for males of the solanaceous fruit fly Bactrocera latifrons | Journal of chemical ecology |
10473585 | 19990910 | Stereoselective carveol dehydrogenase from Rhodococcus erythropolis DCL14. A novel nicotinoprotein belonging to the short chain dehydrogenase/reductase superfamily | The Journal of biological chemistry |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.12011513 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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