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Cis-4-Phenylcyclohexan-1-ol - 95%, high purity , CAS No.7335-12-8
Basic Description
Synonyms
CCG-356380 | NSC16118 | 4-phenyl-cyclohexan-1-ol | 4-Phenylcyclohexan-1-ol | cis-4-phenylcyclohexanol | Z335244834 | EINECS 226-613-5 | Cyclohexanol, 4-phenyl- | EN300-6222305 | NSC 17139 | doi:10.14272/YVVUSIMLVPJXMY-HAQNSBGRSA-N | (trans)-4-Phenylcycloh
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Secondary alcohols
Direct Parent
Cyclohexanols
Alternative Parents
Benzene and substituted derivatives Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cyclohexanol - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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.
Names and Identifiers
IUPAC Name
4-phenylcyclohexan-1-ol
INCHI
InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKey
YVVUSIMLVPJXMY-UHFFFAOYSA-N
Smiles
C1CC(CCC1C2=CC=CC=C2)O
Isomeric SMILES
C1CC(CCC1C2=CC=CC=C2)O
Alternate CAS
5437-46-7,5769-13-1,7335-12-8
NSC Number
16118
Molecular Weight
176.25
Reaxy-Rn
2415218
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2415218&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
176.250 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
176.12 Da
Monoisotopic Mass
176.12 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
141.000
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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C2414429