3-Ethylcyclohexanol - CAS 4534-76-3
Catalog: |
BB025839 |
Product Name: |
3-Ethylcyclohexanol |
CAS: |
4534-76-3 |
Synonyms: |
3-ethyl-1-cyclohexanol; 3-ethylcyclohexan-1-ol |
IUPAC Name: | 3-ethylcyclohexan-1-ol |
Description: | 3-Ethylcyclohexanol (CAS# 4534-76-3) is a useful research chemical. |
Molecular Weight: | 128.21 |
Molecular Formula: | C8H16O |
Canonical SMILES: | CCC1CCCC(C1)O |
InChI: | InChI=1S/C8H16O/c1-2-7-4-3-5-8(9)6-7/h7-9H,2-6H2,1H3 |
InChI Key: | UNIOXDKEUNVBAC-UHFFFAOYSA-N |
Boiling Point: | 185.7 °C at 760 mmHg |
Density: | 0.909 g/cm3 |
MDL: | MFCD18917264 |
LogP: | 1.94750 |
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 |
Publication Number | Title | Priority Date |
US-2020131201-A1 | Tyk2 inhibitors and uses thereof | 20181015 |
EP-3349862-A1 | A green, lily of the valley perfuming ingredient | 20150916 |
EP-3349862-B1 | A green, lily of the valley perfuming ingredient | 20150916 |
JP-2018530646-A | Perfume ingredients of green and lily of the valley | 20150916 |
US-10100267-B1 | Green, lily of the valley perfuming ingredient | 20150916 |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.120115130 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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