2-Hexanol - ≥98% , CAS No.626-93-7

CAS: 626-93-7 Cat. No.: H105565 Formula: C₆H₁₄O Peso molecolare: 102.17 Beilstein Registry Number: 1718996 Numero EC: 210-971-4

QUALITÀ & PUREZZA ≥98%

Synonyms

(+/-)-2-Hexanol | Pentanol, methyl- | 2-Hexyl Alcohol | UNII-9CDT0V6T4P | EN300-107421 | BRN 1718996 | 2-HEXANOL | 2-Hexanol, (.+/-.)- | Butyl methyl carbinol | NSC 3706 | H0131 | EINECS 210-971-4 | 2-Hexanol, (S)- | FT-0605317 | Hexan-2-ol; 2-Hexanol | 1

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

(+/-)-2-Hexanol is s an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff field. It is used as perfuming agent.

Specifiche

Sinonimi

(+/-)-2-Hexanol | Pentanol, methyl- | 2-Hexyl Alcohol | UNII-9CDT0V6T4P | EN300-107421 | BRN 1718996 | 2-HEXANOL | 2-Hexanol, (.+/-.)- | Butyl methyl carbinol | NSC 3706 | H0131 | EINECS 210-971-4 | 2-Hexanol, (S)- | FT-0605317 | Hexan-2-ol; 2-Hexanol | 1

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181615

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181615

Sorrisi canonici

CCCCC(C)O

IUPAC Name

hexan-2-ol

InChIKey

QNVRIHYSUZMSGM-UHFFFAOYSA-N

INCHI

1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

Isomeri SMILES

CCCCC(C)O

WGK Germania

1

RTECS

MO8470000

Numero UN

2282

Peso molecolare

102.17

Beilstein

1718996

Reaxy-Rn

1718996

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718996&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: Fatty alcohols

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (13 g/L at 25°C)
• Indice di rifrazione: 1.414
• Punto di infiammabilità (°F): 114.8 °F
• Punto di infiammabilità (°C): 41℃
• Punto di ebollizione (°C): 139°C
• Punto di fusione (°C): -23°C
• Peso molecolare: 102.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 102.104 Da
• Monoisotopic Mass: 102.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1