(E)-4-Hexen-3-one - ≥98% , CAS No.50396-87-7

CAS: 50396-87-7 Cat. No.: E404567 Molecular Weight: 98.15 EC Number: 878-668-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
EINECS 219-681-2 | H1735 | 4-HEXEN-3-ONE [FHFI] | CHEBI:89801 | DTXSID90885909 | trans-4-hexene-3-one | 4-HEXEN-3-ONE | (4E)-4-Hexen-3-one | J-015757 | Q27161988 | 2-Hexen-4-one | trans-4-hexen-3-one | FEMA No. 3352 | HEXENE-3-ONE, 4- | DTXSID4047670 | (E
Storage
Argon charged,Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
E404567-5ml
4
$10.90
25ml
E404567-25ml
6
$38.90
100ml
E404567-100ml
2
$127.90
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Why this grade

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

🌡

Storage & shipping

Argon charged,Room temperature Ships 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.

Overview

Maximum Absorption Wavelength:310(EtOH)nm

Specifications

Synonyms
EINECS 219-681-2 | H1735 | 4-HEXEN-3-ONE [FHFI] | CHEBI:89801 | DTXSID90885909 | trans-4-hexene-3-one | 4-HEXEN-3-ONE | (4E)-4-Hexen-3-one | J-015757 | Q27161988 | 2-Hexen-4-one | trans-4-hexen-3-one | FEMA No. 3352 | HEXENE-3-ONE, 4- | DTXSID4047670 | (E
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Purity
≥98%
Names and Identifiers
Pubchem Sid488195459
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195459
Canonical SmilesCCC(=O)C=CC
IUPAC Name(E)-hex-4-en-3-one
InChIKeyFEWIGMWODIRUJM-HWKANZROSA-N
INCHI1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
Isomeric SMILES CCC(=O)/C=C/C
UN Number 1224
Packing Group III
Molecular Weight 98.15
Reaxy-Rn 1738131
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738131&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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct ParentEnones
Alternative Parents Acryloyl compounds  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

7 results found

Lot NumberCertificate TypeDateItem
B2301664Certificate of AnalysisOct 30, 2025 E404567
B2301669Certificate of AnalysisOct 30, 2025 E404567
B2301685Certificate of AnalysisOct 30, 2025 E404567
B2301687Certificate of AnalysisOct 30, 2025 E404567
B2301797Certificate of AnalysisOct 30, 2025 E404567
B2301799Certificate of AnalysisOct 30, 2025 E404567
B2304687Certificate of AnalysisSep 13, 2022 E404567
Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.44
Flash Point(°C)37 °C
Boil Point(°C)137 °C
Molecular Weight98.140 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass98.0732 Da
Monoisotopic Mass98.0732 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count7
Formal Charge0
Complexity82.200
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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