Anisyl propionate - ≥98% , CAS No.7549-33-9

CAS: 7549-33-9 Cat. No.: A694072 Formule: C₁₁H₁₄O₃ Poids moléculaire: 194.23 Numéro CE: 231-433-5

GRADE & PURITY ≥98%

Synonyms

4-Methoxy-Benzenemethanol 1-Propanoate | Propanoic Acid (4-Methoxyphenyl)Methyl Ester | Propionic Acid (4-Methoxybenzyl) Ester | ANISYL PROPIONATE | (4-methoxyphenyl)methyl propanoate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-Methoxy-Benzenemethanol 1-Propanoate | Propanoic Acid (4-Methoxyphenyl)Methyl Ester | Propionic Acid (4-Methoxybenzyl) Ester | ANISYL PROPIONATE | (4-methoxyphenyl)methyl propanoate

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528769260

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769260

Sourires canoniques

CCC(=O)OCC1=CC=C(C=C1)OC

IUPAC Name

(4-methoxyphenyl)methyl propanoate

InChIKey

YWIJRJQYADFRTL-UHFFFAOYSA-N

INCHI

1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3

Isomères SMILES

CCC(=O)OCC1=CC=C(C=C1)OC

Poids moléculaire

194.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• 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: Benzyloxycarbonyl - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Propriétés chimiques et physiques

• Sensibilité: heat sensitive
• Indice de réfraction: n20/D 1.508 (lit.)
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Point d'ébullition (°C): 277℃ (lit.)
• Poids moléculaire: 194.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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