(R)-(-)-2-Pentanol - ≥98% , CAS No.31087-44-2

CAS: 31087-44-2 Cat. No.: R138651 Formula: CH₃CH₂CH₂CH(OH)CH₃ Peso molecolare: 88.15 Beilstein Registry Number: 4652311 Numero EC: 622-562-1

GRADE & PURITY ≥98%

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

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508806635

Sorrisi canonici

CCCC(C)O

IUPAC Name

(2R)-pentan-2-ol

InChIKey

JYVLIDXNZAXMDK-RXMQYKEDSA-N

INCHI

1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1

Isomeri SMILES

CCC[C@@H](C)O

WGK Germania

3

Peso molecolare

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.406
• Rotazione specifica [α]: -13.5° (neat)
• Punto di infiammabilità (°F): 93.2 °F
• Punto di infiammabilità (°C): 34 °C
• Punto di ebollizione (°C): 119-120℃
• Peso molecolare: 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