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

CAS: 95883-10-6 Cat. No.: D305033 Formula: C₁₁H₁₂O₂ Molecular Weight: 176.21 EC Number: 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

Overview

application：

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

Specifications

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764618
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764618
• Canonical Smiles: 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+
• Isomeric SMILES: CC1=CC(=C(C=C1)C)/C=C/C(=O)O
• Molecular Weight: 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
    • Class Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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

Chemical and Physical Properties

• Flash Point(°C): 212.2°C
• Boil Point(°C): 307°C at 760 mmHg
• Melt Point(°C): 129-131°C
• Molecular Weight: 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

Frequently Asked 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.