2-Methyl-1-propanol - ≥99%(GC) , CAS No.78-83-1

CAS: 78-83-1 Cat. No.: M103312 Fórmula: C₄H₁₀O Peso molecular: 74.12 Beilstein Registry Number: 1730878 Número EC: 201-148-0

GRADE & PURITY ≥99%(GC)

Synonyms

1-Propanol, 2-methyl- | iso-BuOH | 2-Methyl-1-propanol, anhydrous, 99.5% | BIDD:ER0628 | 2-Methyl-1-propanol 10 microg/mL in Methanol | EC 201-148-0 | 2-methyl-l-propanol | 2-Methyl-1-propanol | 2-Methyl-1-propanol, ACS reagent, >=99.0% | Q151797 | 2-Meth

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Descripción general

2-Methyl-1-propanol, also known as isobutyl alcohol, is an aliphatic alcohol. The densities, viscosities and refractive indices of the binary mixtures of diglyme and 2-methyl-1-propanol have been evaluated. The partition functions and thermodynamic properties of 2-methyl-1-propanol in the vapor phase have been reported. The kinetics of dehydration of isobutyl alcohol to butene over ZSM (Zeolite Socony Mobil)-5 zeolite has been investigated using in situ FTIR (Fourier transform infrared spectroscopy) and GC. The thermochemical characteristics of radicals generated by the removal of hydrogen from 1-butanol have been studied.

Specifications

Sinónimos

1-Propanol, 2-methyl- | iso-BuOH | 2-Methyl-1-propanol, anhydrous, 99.5% | BIDD:ER0628 | 2-Methyl-1-propanol 10 microg/mL in Methanol | EC 201-148-0 | 2-methyl-l-propanol | 2-Methyl-1-propanol | 2-Methyl-1-propanol, ACS reagent, >=99.0% | Q151797 | 2-Meth

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

FedEx DG Service

Pureza

≥99%(GC)

Product Line

M103312-100ml

Nombres e identificadores

Pubchem Sid

508813409

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813409

Sonrisas canónicas

CC(C)CO

IUPAC Name

2-methylpropan-1-ol

InChIKey

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

INCHI

1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

Isómeros SMILES

CC(C)CO

WGK Alemania

1

RTECS

NP9625000

Número ONU

1212

Grupo de embalaje

III

Peso molecular

74.12

Beilstein

1730878

Reaxy-Rn

1730878

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730878&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: a small molecule

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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tetrahymena pyriformis (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with alcohol and diethyl ether. Partially miscible with water.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.396
• Punto de inflamación (°C): 28℃
• Punto de ebullición (°C): 108°C
• Punto de fusión (°C): -108°C
• Peso molecular: 74.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 74.0732 Da
• Monoisotopic Mass: 74.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 17.600
• 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