4-Heptyn-2-ol - ≥97%(GC) , CAS No.19781-81-8

CAS: 19781-81-8 Cat. No.: H156874 Formula: C₇H₁₂O Peso molecolare: 112.17

GRADE & PURITY ≥97%(GC)

Synonyms

EINECS 243-309-8 | Methyl 2-pentynyl carbinol | AI3-37217 | AS-56579 | CXVIEBMEWKSONY-UHFFFAOYSA- | SCHEMBL487731 | Hept-4-yn-2-ol | AKOS015841755 | InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3 | 4-Heptyn-2-ol, AldrichCPR | H0458 | DTXSID50941570 | F

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

EINECS 243-309-8 | Methyl 2-pentynyl carbinol | AI3-37217 | AS-56579 | CXVIEBMEWKSONY-UHFFFAOYSA- | SCHEMBL487731 | Hept-4-yn-2-ol | AKOS015841755 | InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3 | 4-Heptyn-2-ol, AldrichCPR | H0458 | DTXSID50941570 | F

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%(GC)

Nomi e identificatori

Sorrisi canonici

CCC#CCC(C)O

IUPAC Name

hept-4-yn-2-ol

InChIKey

CXVIEBMEWKSONY-UHFFFAOYSA-N

INCHI

1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3

Isomeri SMILES

CCC#CCC(C)O

Peso molecolare

112.17

Reaxy-Rn

2232633

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2232633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

• Sensibilità: heat sensitive
• Punto di infiammabilità (°F): 143°F
• Punto di infiammabilità (°C): 62℃
• Punto di ebollizione (°C): 67-68°/14mm
• Peso molecolare: 112.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 104.000
• 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