4,4-Dimethylcyclohexanol - CAS 932-01-4
Catalog: |
BB040804 |
Product Name: |
4,4-Dimethylcyclohexanol |
CAS: |
932-01-4 |
Synonyms: |
4,4-dimethyl-1-cyclohexanol; 4,4-dimethylcyclohexan-1-ol |
IUPAC Name: | 4,4-dimethylcyclohexan-1-ol |
Description: | 4,4-Dimethylcyclohexanol (CAS# 932-01-4) is a useful research chemical. |
Molecular Weight: | 128.21 |
Molecular Formula: | C8H16O |
Canonical SMILES: | CC1(CCC(CC1)O)C |
InChI: | InChI=1S/C8H16O/c1-8(2)5-3-7(9)4-6-8/h7,9H,3-6H2,1-2H3 |
InChI Key: | VUQOIZPFYIVUKD-UHFFFAOYSA-N |
Boiling Point: | 186 °C at 760 mmHg |
Density: | 0.903 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00101954 |
LogP: | 1.94750 |
GHS Hazard Statement: | H302 (33.33%): 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
WO-2020127685-A1 | Amino-acid anilides as small molecule modulators of il-17 | 20181219 |
CN-110857312-A | Organic electroluminescent material and device | 20180822 |
EP-3613751-A1 | Organic electroluminescent materials and devices | 20180822 |
KR-20200068559-A | Organic electroluminescent materials and devices | 20180822 |
Complexity: | 86.7 |
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: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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