Eugenyl acetate - 10mM in DMSO , CAS No.93-28-7

CAS: 93-28-7 Cat. No.: E426980 Formule: C₁₂H₁₄O₃ Poids moléculaire: 206.24 Beilstein Registry Number: 6(3)5029 Numéro CE: 202-235-6

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

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

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528769460

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

2

RTECS

SJ4550000

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Point de congélation (°C): 26 °C
• Indice de réfraction: 1.518
• Point d'éclair (°F): 287.6 °F - closed cup
• Point d'éclair (°C): 142 °C - closed cup
• Point d'ébullition (°C): 281-286°C
• Point de fusion (°C): 26°C
• Poids moléculaire: 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