2-Methyl-2-pentanol - ≥96% , CAS No.590-36-3

CAS: 590-36-3 Cat. No.: M158747 Formula: C₆H₁₄O Molecular Weight: 102.18 Beilstein Registry Number: 1718950 EC Number: 209-681-0

GRADE & PURITY ≥96%

Synonyms

DTXSID4060440 | AKOS009156538 | EN300-61549 | UN 2560 | 1,1-Dimethylbutanol | 2-METHYL-2-AMYL ALCOHOL | 2-Methylpentan-2-ol [UN2560] [Flammable liquid] | M1178 | Dimethyl propyl carbinol | Methyl-2 pentanol-2 | 2-Methyl-2-pentanol, 99% | 2-Hydroxy-2-meth

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Overview

2-Methyl-2-pentanol is a metabolite found in the urine of rats exposed to methylpentane.
2-Methyl-2-pentanol has been used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site.

Specifications

Synonyms

DTXSID4060440 | AKOS009156538 | EN300-61549 | UN 2560 | 1,1-Dimethylbutanol | 2-METHYL-2-AMYL ALCOHOL | 2-Methylpentan-2-ol [UN2560] [Flammable liquid] | M1178 | Dimethyl propyl carbinol | Methyl-2 pentanol-2 | 2-Methyl-2-pentanol, 99% | 2-Hydroxy-2-meth

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

Canonical Smiles

CCCC(C)(C)O

IUPAC Name

2-methylpentan-2-ol

InChIKey

WFRBDWRZVBPBDO-UHFFFAOYSA-N

INCHI

1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3

Isomeric SMILES

CCCC(C)(C)O

WGK Germany

3

UN Number

2560

Packing Group

III

Molecular Weight

102.18

Beilstein

1718950

Reaxy-Rn

1718951

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718951&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.41
• Flash Point(°F): 86°F
• Flash Point(°C): 30℃
• Boil Point(°C): 120-122℃
• Melt Point(°C): -103℃
• Molecular Weight: 102.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 48.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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