Propyl Benzoate - ≥99%(GC) , CAS No.2315-68-6

CAS: 2315-68-6 Cat. No.: P160151 Formula: C₁₀H₁₂O₂ Peso molecolare: 164.2 Beilstein Registry Number: 9(3)389 Numero EC: 219-020-8 PubChem CID: 16846

GRADE & PURITY ≥99%(GC)

Synonyms

EN300-7794258 | J-015014 | NCGC00159383-03 | NCGC00159383-04 | NCGC00159383-02 | AI3-01973 | n-propyl benzenecarboxylate | NSC 229333 | Benzoic acid, propyl ester | EINECS 219-020-8 | UNII-VWK210B7WS | VWK210B7WS | Benzoic acid-propyl ester | B0076 | CAS-

Storage

Room temperature

Shipped In

Normal

Panoramica

The adsorption data of propyl benzoate was obtained by frontal analysis on a symmetry-C18 column by a mixture of methanol and water as the mobile phase.

Specifications

Sinonimi

EN300-7794258 | J-015014 | NCGC00159383-03 | NCGC00159383-04 | NCGC00159383-02 | AI3-01973 | n-propyl benzenecarboxylate | NSC 229333 | Benzoic acid, propyl ester | EINECS 219-020-8 | UNII-VWK210B7WS | VWK210B7WS | Benzoic acid-propyl ester | B0076 | CAS-

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%(GC)

Nomi e identificatori

• Pubchem Sid: 488182303
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182303
• Sorrisi canonici: CCCOC(=O)C1=CC=CC=C1
• IUPAC Name: propyl benzoate
• InChIKey: UDEWPOVQBGFNGE-UHFFFAOYSA-N
• INCHI: 1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
• Isomeri SMILES: CCCOC(=O)C1=CC=CC=C1
• WGK Germania: 3
• PubChem CID: 16846
• Peso molecolare: 164.2
• Beilstein: 9(3)389
• Reaxy-Rn: 1863771

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.5
• Punto di infiammabilità (°F): 208.4 °F
• Punto di infiammabilità (°C): 112°C(lit.)
• Punto di ebollizione (°C): 230°C
• Punto di fusione (°C): -52°C
• Peso molecolare: 164.200 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 137.000
• 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

Riferimenti

1. Jie Du, Faqiong Zhao, Baizhao Zeng.  (2021)  Preparation of functionalized graphene and ionic liquid co-doped polypyrrole solid phase microextraction coating for the detection of benzoates preservatives.  TALANTA,      [PMID:33773735] [10.1016/j.talanta.2021.122231]

2. Youhong Ai, Mian Wu, Lulu Li, Faqiong Zhao, Baizhao Zeng.  (2016)  Highly selective and effective solid phase microextraction of benzoic acid esters using ionic liquid functionalized multiwalled carbon nanotubes-doped polyaniline coating.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:26852620] [10.1016/j.chroma.2016.01.072]

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% 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 2315-68-6, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey UDEWPOVQBGFNGE-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.