1-Methyl-2-phenylethyl Acetate - ≥95%(GC) , CAS No.2114-33-2

CAS: 2114-33-2 Cat. No.: M158721 Formula: C₁₁H₁₄O₂ Peso molecolare: 178.23

GRADE & PURITY ≥95%(GC)

Synonyms

1-Phenyl-2-propanol acetate | 1-phenylpropan-2-yl acetate | 2-acetoxypropyl benzene | Acetic Acid 1-Methyl-2-phenylethyl Ester | MFCD01672540 | (2-chloro-phenyl)-oxalamic acid | Benzeneethanol, .alpha.-methyl-, 1-acetate | ACETIC ACID, alpha-METHYL-PHENET

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-Phenyl-2-propanol acetate | 1-phenylpropan-2-yl acetate | 2-acetoxypropyl benzene | Acetic Acid 1-Methyl-2-phenylethyl Ester | MFCD01672540 | (2-chloro-phenyl)-oxalamic acid | Benzeneethanol, .alpha.-methyl-, 1-acetate | ACETIC ACID, alpha-METHYL-PHENET

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Sorrisi canonici

CC(CC1=CC=CC=C1)OC(=O)C

IUPAC Name

1-phenylpropan-2-yl acetate

InChIKey

LOHDWLZDQXQLJA-UHFFFAOYSA-N

INCHI

1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

Isomeri SMILES

CC(CC1=CC=CC=C1)OC(=O)C

Peso molecolare

178.23

Reaxy-Rn

2047624

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047624&ln=

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: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

• Punto di infiammabilità (°C): 103 °C
• Peso molecolare: 178.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• 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, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2114-33-2, the molecular formula is C11H14O2, and the molecular weight is 178.23 g/mol. InChIKey LOHDWLZDQXQLJA-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.