4,4-Dimethyl-2-pentanol - ≥98% , CAS No.6144-93-0

CAS: 6144-93-0 Cat. No.: D346243 Summenformel: C₇H₁₆O Molekulargewicht: 116.2 EG-Nummer: 228-147-8

GRADE & PURITY ≥98%

Synonyms

EINECS 228-147-8 | E84098 | 2-Pentanol, 4,4-dimethyl- | FT-0738881 | 4,4-Dimethyl-2-pentanol | 4,4-Dimethylpentan-2-ol | AKOS009158573 | Methylneopentylcarbinol | SCHEMBL195392 | 4,4-Dimethyl-2-pentanol, 98% | EN300-244088 | DTXSID40977005

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

EINECS 228-147-8 | E84098 | 2-Pentanol, 4,4-dimethyl- | FT-0738881 | 4,4-Dimethyl-2-pentanol | 4,4-Dimethylpentan-2-ol | AKOS009158573 | Methylneopentylcarbinol | SCHEMBL195392 | 4,4-Dimethyl-2-pentanol, 98% | EN300-244088 | DTXSID40977005

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504756674

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756674

Kanonisches Lächeln

CC(CC(C)(C)C)O

IUPAC Name

4,4-dimethylpentan-2-ol

InChIKey

OIBKGNPMOMMSSI-UHFFFAOYSA-N

INCHI

1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3

Isomere SMILES

CC(CC(C)(C)C)O

UN-Nummer

1987

Verpackungsgruppe

III

Molekulargewicht

116.2

Reaxy-Rn

1731807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731807&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Siedepunkt (°C): 137-137.5° C (lit.) at 736 mmHg
• Molekulargewicht: 116.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.12 Da
• Monoisotopic Mass: 116.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 61.300
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6144-93-0, the molecular formula is C7H16O, and the molecular weight is 116.2 g/mol. InChIKey OIBKGNPMOMMSSI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.