3-Ethyl-2-methyl-3-pentanol - ≥98% , CAS No.597-05-7

CAS: 597-05-7 Cat. No.: E156099 Formule: C₈H₁₈O Poids moléculaire: 130.23 Beilstein Registry Number: 1423 Numéro CE: 679-984-4

GRADE & PURITY ≥98%

Synonyms

1,1-Diethylisobutyl Alcohol | 3-Ethyl-2-methyl-3-pentanol | SCHEMBL506048 | 3-ethyl-2-methyl-pentan-3-ol | 3-ethyl-2-methylpentan-3-ol | E0481 | UNII-D94JTA6R5E | BS-44172 | 3-Pentanol, 3-ethyl-2-methyl- | D90530 | Diethylisopropylcarbinol | 2-Methyl-3-et

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

1,1-Diethylisobutyl Alcohol | 3-Ethyl-2-methyl-3-pentanol | SCHEMBL506048 | 3-ethyl-2-methyl-pentan-3-ol | 3-ethyl-2-methylpentan-3-ol | E0481 | UNII-D94JTA6R5E | BS-44172 | 3-Pentanol, 3-ethyl-2-methyl- | D90530 | Diethylisopropylcarbinol | 2-Methyl-3-et

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508808805

Sourires canoniques

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

IUPAC Name

3-ethyl-2-methylpentan-3-ol

InChIKey

DMHIJUVUPKCGLJ-UHFFFAOYSA-N

INCHI

1S/C8H18O/c1-5-8(9,6-2)7(3)4/h7,9H,5-6H2,1-4H3

Isomères SMILES

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

Numéro ONU

1987

Groupe d'emballage

III

Poids moléculaire

130.23

Beilstein

1423

Reaxy-Rn

1697369

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697369&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: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.43
• Point d'éclair (°C): 57 °C
• Point d'ébullition (°C): 59°C/18mmHg(lit.)
• Poids moléculaire: 130.229 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 130.136 Da
• Monoisotopic Mass: 130.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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