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

COA

Grade & Purity:

≥97%

Cas Number: 95883-10-6
Molecular Weight: 176.21
MDL number: MFCD00014377
PubChem CID: 7019632
PubChem SID: 504764618

In stock

Item Number

D305033

Grouped product items
SKU	Size	Availability	Price
D305033-1g	1g	3	$15.90
D305033-5g	5g	2	$46.90
D305033-10g	10g	2	$80.90

Basic Description

Synonyms	2,5-Dimethylcinnamic acid \| 95883-10-6 \| 3-(2,5-Dimethylphenyl)acrylic acid \| 155814-17-8 \| (E)-3-(2,5-dimethylphenyl)prop-2-enoic Acid \| (2E)-3-(2,5-dimethylphenyl)prop-2-enoic acid \| (E)-3-(2,5-DIMETHYLPHENYL)ACRYLIC ACID \| 3-(2,5-Dimethylphenyl)-2-propenoic Acid \| (2E
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	application： 2,5-Dimethylcinnamic acid, is used for organic synthesize intermediate

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
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

Names and Identifiers

Pubchem Sid	504764618
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764618
IUPAC Name	(E)-3-(2,5-dimethylphenyl)prop-2-enoic acid
INCHI	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+
InChIKey	FAIBVLSPNAHVSQ-AATRIKPKSA-N
Smiles	CC1=CC(=C(C=C1)C)C=CC(=O)O
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
J2127258	Certificate of Analysis	Aug 12, 2024	D305033
J2127259	Certificate of Analysis	Aug 12, 2024	D305033
J2127260	Certificate of Analysis	Aug 12, 2024	D305033

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 Å²
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

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