3-Phenylbut-2-enoic acid (mixture of isomers) - ≥97% , CAS No.1199-20-8

CAS: 1199-20-8 Cat. No.: B166396 Peso molecular: 162.19 Número EC: 621-438-4
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
EN300-50863 | 2-Butenoic acid, 3-phenyl- | MFCD00053500
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
B166396-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
12,90US$
250mg
B166396-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
47,90US$
1g
B166396-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
114,90US$
5g
B166396-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
342,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
EN300-50863 | 2-Butenoic acid, 3-phenyl- | MFCD00053500
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Protected from light, Room temperature, Argon charged
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasCC(=CC(=O)O)C1=CC=CC=C1
IUPAC Name(E)-3-phenylbut-2-enoic acid
InChIKeyPEXWJYDPDXUVSV-BQYQJAHWSA-N
INCHI1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
Isómeros SMILES C/C(=C\C(=O)O)/C1=CC=CC=C1
Peso molecular 162.19
Reaxy-Rn 2042506
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042506&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClaseCinnamic acids and derivatives
SubclassCinnamic acids
Intermediate Tree Nodes Not available
Direct ParentCinnamic acids
Alternative Parents Phenylpropenes  Styrenes  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Cinnamic acid - Phenylpropene - 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
C2609212Certificate of AnalysisDec 17, 2025 B166396
C2609213Certificate of AnalysisDec 17, 2025 B166396
C2609214Certificate of AnalysisDec 17, 2025 B166396
C2609215Certificate of AnalysisDec 17, 2025 B166396
Propiedades químicas y físicas
Sensibilidadlight sensitive;air sensitive
Peso molecular162.180 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass162.068 Da
Monoisotopic Mass162.068 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity188.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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