2-Phenyl-2-butanol - ≥99% , CAS No.1565-75-9

CAS: 1565-75-9 Cat. No.: P474236 Formula: C₁₀H₁₄O Peso molecolare: 150.22 Numero EC: 216-364-0 PubChem CID: 15283

GRADE & PURITY ≥99%

Synonyms

EN300-61289 | 2-Phenyl-2-butanol | 2-06-00-00488 (Beilstein Handbook Reference) | EINECS 216-364-0 | Benzenemethanol, .alpha.-ethyl-.alpha.-methyl- | Benzyl alcohol, .alpha.-ethyl-.alpha.-methyl- | FT-0691837 | XGLHYBVJPSZXIF-UHFFFAOYSA-N | Z449373348 | A

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Description

2-Phenyl-2-butanol was used in the synthesis of 2-phenylbutane in trifluoroacetic acid-dichloromethane.

Specifications

Sinonimi

EN300-61289 | 2-Phenyl-2-butanol | 2-06-00-00488 (Beilstein Handbook Reference) | EINECS 216-364-0 | Benzenemethanol, .alpha.-ethyl-.alpha.-methyl- | Benzyl alcohol, .alpha.-ethyl-.alpha.-methyl- | FT-0691837 | XGLHYBVJPSZXIF-UHFFFAOYSA-N | Z449373348 | A

Specifiche e purezza

≥99%

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

≥99%

Nomi e identificatori

Pubchem Sid

504752649

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752649

Sorrisi canonici

CCC(C)(C1=CC=CC=C1)O

IUPAC Name

2-phenylbutan-2-ol

InChIKey

XGLHYBVJPSZXIF-UHFFFAOYSA-N

INCHI

1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3

Isomeri SMILES

CCC(C)(C1=CC=CC=C1)O

WGK Germania

3

PubChem CID

15283

Peso molecolare

150.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

• Indice di rifrazione: 1.519 (lit.)
• Punto di infiammabilità (°F): 195.8 °F
• Punto di infiammabilità (°C): 91 °C
• Punto di ebollizione (°C): 107-108° C (lit.) at 20 mmHg
• Peso molecolare: 150.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 1565-75-9, the molecular formula is C10H14O, and the molecular weight is 150.22 g/mol. InChIKey XGLHYBVJPSZXIF-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.