Acetato de eugenilo - ≥98% , CAS No.93-28-7

CAS: 93-28-7 Cat. No.: E117677 Fórmula: C₁₂H₁₄O₃ Peso molecular: 206.24 Beilstein Registry Number: 6(3)5029 Número CE: 202-235-6

GRADE & PURITY ≥98%

Synonyms

2-Methoxy-4-(prop-2-enyl)phenyl Acetate (Acetyleugenol) | 2-Methoxy-4-(2-propenyl)phenyl acetate | CHEBI:34522 | EINECS 202-235-6 | Eugenyl acetate, >=98%, FCC, FG | V9OSB376X8 | 3-06-00-05029 (Beilstein Handbook Reference) | Acetic acid 4-allyl-2-methoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Methoxy-4-(prop-2-enyl)phenyl Acetate (Acetyleugenol) | 2-Methoxy-4-(2-propenyl)phenyl acetate | CHEBI:34522 | EINECS 202-235-6 | Eugenyl acetate, >=98%, FCC, FG | V9OSB376X8 | 3-06-00-05029 (Beilstein Handbook Reference) | Acetic acid 4-allyl-2-methoxy

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751256

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751256

Sorrisos canónicos

CC(=O)OC1=C(C=C(C=C1)CC=C)OC

IUPAC Name

(2-methoxy-4-prop-2-enylphenyl) acetate

InChIKey

SCCDQYPEOIRVGX-UHFFFAOYSA-N

INCHI

1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3

SMILES isoméricas

CC(=O)OC1=C(C=C(C=C1)CC=C)OC

WGK Alemanha

2

RTECS

SJ4550000

Peso molecular

206.24

Beilstein

6(3)5029

Reaxy-Rn

1964745

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1964745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: phenols - benzoate ester

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

Propriedades químicas e físicas

• Ponto de congelamento (°C): 26 °C
• Índice de refração: 1.518
• Ponto de inflamação (°F): 287.6 °F - closed cup
• Ponto de inflamação (°C): 142 °C - closed cup
• Ponto de ebulição (°C): 281-286°C
• Ponto de fusão (°C): 26°C
• Peso molecular: 206.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 206.094 Da
• Monoisotopic Mass: 206.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 93-28-7, the molecular formula is C12H14O3, and the molecular weight is 206.24 g/mol. InChIKey SCCDQYPEOIRVGX-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.