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· · COA & SDS available for every product · Same-day shipping on in-stock items Cyclohexaneethanol - ≥98% , CAS No.4442-79-9
Synonyms
2-CYCLOHEXANEETHANOL|2-Cyclohexylethanol|2-cyclohexyl-ethanol|Cyclohexylethanol;Cyclohexylethyl alcohol;(2-Hydroxyethyl)cyclohexane|2-Cyclohexylethyl alcohol|2-Cyclohexylethan-1-Ol|.beta.-Cyclohexyl ethanol|CYCLOHEXYLETHANOL [INCI]|(2-Hydroxyethyl)cyclohexane|CYCLOHEXANEETHANOL|Cyclohexane-ethanol|Cyclohexylethanol|Ethanol, 2-cyclohexyl-|2-(cyclohexyl)ethanol|2-cyclohexyl-1-ethanol|Cyclohexylethyl alcohol|.beta.-Cyclohexylethyl alcohol
Specifications Synonyms
2-CYCLOHEXANEETHANOL | 2-Cyclohexylethanol | 2-cyclohexyl-ethanol | Cyclohexylethanol;Cyclohexylethyl alcohol;(2-Hydroxyethyl)cyclohexane | 2-Cyclohexylethyl alcohol | 2-Cyclohexylethan-1-Ol | .beta.-Cyclohexyl ethanol | CYCLOHEXYLETHANOL [INCI] | (2-Hydroxyethyl)cyclohexane | CYCLOHEXANEETHANOL | Cyclohexane-ethanol | Cyclohexylethanol | Show more
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182627
Canonical Smiles
C1CCC(CC1)CCO
IUPAC Name
2-cyclohexylethanol
InChIKey
QJQZRLXDLORINA-UHFFFAOYSA-N
INCHI
1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
Isomeric SMILES
C1CCC(CC1)CCO
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1848152&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Alcohols and polyols Intermediate Tree Nodes Not available Direct Parent Primary alcohols Alternative Parents Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in alcohol and dipropylene glycol. Soluble in water (1750 mg/L at 25°C). Refractive Index 1.47 Flash Point(°F) 186.8 °F Flash Point(°C) 86°C(lit.) Boil Point(°C) 206 °C Melt Point(°C) -20°C Molecular Weight 128.210 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 128.12 Da Monoisotopic Mass 128.12 Da Topological Polar Surface Area 20.200 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 65.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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