(E)-4-(4-Hydroxyphenyl)but-3-en-2-one - ≥98% , CAS No.22214-30-8

CAS: 22214-30-8 Cat. No.: B699078 Molecular Weight: 162.18
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
B699078-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$39.90
25mg
B699078-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$179.90
100mg
B699078-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$649.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice 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

Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Product Properties
ALogP1.7
Names and Identifiers
Canonical SmilesCC(=O)C=CC1=CC=C(C=C1)O
IUPAC Name(E)-4-(4-hydroxyphenyl)but-3-en-2-one
InChIKeyOCNIKEFATSKIBE-NSCUHMNNSA-N
INCHI1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
Isomeric SMILES CC(=O)/C=C/C1=CC=C(C=C1)O
Molecular Weight 162.18
Reaxy-Rn 2412544
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412544&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
ClassCinnamic acids and derivatives
SubclassHydroxycinnamic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentHydroxycinnamic acids and derivatives
Alternative Parents Styrenes  1-hydroxy-2-unsubstituted benzenoids  Enones  Acryloyl compounds  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Hydroxycinnamic acid or derivatives - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-22 (3261 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

3 results found

Lot NumberCertificate TypeDateItem
E2607309Certificate of AnalysisJan 12, 2026 B699078
E2607310Certificate of AnalysisJan 12, 2026 B699078
E2607311Certificate of AnalysisJan 12, 2026 B699078
Chemical and Physical Properties
SensitivityLight sensitive
Molecular Weight162.180 g/mol
XLogP31.700
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
Complexity176.000
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
Solution Calculators
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