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(R)-(-)-2-Pentanol - >98.0%(HPLC), high purity , CAS No.31087-44-2
Basic Description
Synonyms
(R)-2-pentanol | (R)-(-)-2-Pentanol | (R)-(-)-2-Pentanol, >/=98% | (r)-pentan-2-ol | DTXSID001339054 | MFCD00065953 | 2-Pentanol, (2R)- | (2R)-2-pentanol | J-018238 | A832689 | RB3003 | AKOS015839993 | (2R)-pentan-2-ol | (R)-(-)-2-Pentanol, 98% | BDBM3615
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Not available
Direct Parent
Secondary alcohols
Alternative Parents
Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,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.
Names and Identifiers
IUPAC Name
(2R)-pentan-2-ol
INCHI
InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
InChIKey
JYVLIDXNZAXMDK-RXMQYKEDSA-N
Smiles
CCCC(C)O
Isomeric SMILES
CCC[C@@H](C)O
WGK Germany
3
Molecular Weight
88.15
Beilstein
4652311
Reaxy-Rn
1718819
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718819&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.406
Specific Rotation[α]
-13.5° (neat)
Flash Point(°F)
93.2 °F
Flash Point(°C)
34 °C
Boil Point(°C)
119-120℃
Molecular Weight
88.150 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
88.0888 Da
Monoisotopic Mass
88.0888 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
27.100
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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