2,5-Dimethylcinnamic acid - ≥97% , CAS No.95883-10-6

CAS: 95883-10-6 Cat. No.: D305033 Formule: C₁₁H₁₂O₂ Poids moléculaire: 176.21 Numéro CE: 677-487-7

GRADE & PURITY ≥97%

Synonyms

2,5-DIMETHYLCINNAMICACID | (E)-3-(2,5-DIMETHYLPHENYL)ACRYLIC ACID | 2,5-Dimethylcinnamic acid | 3-(2,5-Dimethylphenyl)-2-propenoic Acid | EN300-1453701 | 3-(2,5-Dimethylphenyl)acrylic acid | (E)-2,5-dimethylcinnamic acid; 2,5-Dimethyl-zimtsaeure; | S10887

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Vue d’ensemble

application：

2,5-Dimethylcinnamic acid, is used for organic synthesize intermediate

Specifications

Synonymes

2,5-DIMETHYLCINNAMICACID | (E)-3-(2,5-DIMETHYLPHENYL)ACRYLIC ACID | 2,5-Dimethylcinnamic acid | 3-(2,5-Dimethylphenyl)-2-propenoic Acid | EN300-1453701 | 3-(2,5-Dimethylphenyl)acrylic acid | (E)-2,5-dimethylcinnamic acid; 2,5-Dimethyl-zimtsaeure; | S10887

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504764618
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764618
• Sourires canoniques: CC1=CC(=C(C=C1)C)C=CC(=O)O
• IUPAC Name: (E)-3-(2,5-dimethylphenyl)prop-2-enoic acid
• InChIKey: FAIBVLSPNAHVSQ-AATRIKPKSA-N
• INCHI: 1S/C11H12O2/c1-8-3-4-9(2)10(7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
• Isomères SMILES: CC1=CC(=C(C=C1)C)/C=C/C(=O)O
• Poids moléculaire: 176.21
• Reaxy-Rn: 30738614
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30738614&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: p-Xylenes Styrenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - P-xylene - Xylene - Styrene - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic 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

Propriétés chimiques et physiques

• Point d'éclair (°C): 212.2°C
• Point d'ébullition (°C): 307°C at 760 mmHg
• Point de fusion (°C): 129-131°C
• Poids moléculaire: 176.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.084 Da
• Monoisotopic Mass: 176.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 95883-10-6, the molecular formula is C11H12O2, and the molecular weight is 176.21 g/mol. InChIKey FAIBVLSPNAHVSQ-AATRIKPKSA-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.