3-Penten-2-one - ≥70% , CAS No.625-33-2

CAS: 625-33-2 Cat. No.: P433141 分子式: CH3CH=CHCOCH3 分子量: 84.12 Beilstein Registry Number: 1633505 EC番号: 210-888-3 PubChem CID: 637920
注文可能
GRADE & PURITY ≥70%
Synonyms
(3E)-3-Penten-2-one # | (E)-CH3CH=CHC(=O)CH3 | 3-01-00-02985 (Beilstein Handbook Reference) | NSC-61468 | (E)-3-Penten-2-one | AKOS015950855 | ethylideneacetone | (3E)-pent-3-en-2-one | 3-pentene-2-one | Methyl 1-propenyl ketone | 3-PENTEN-2-ONE [FHFI] |
Storage
Room temperature
★
Size
USA
ドイツ (EU)*
Price
Qty
1g
P433141-1g
受注生産 · 8~12週間

$89.90

$105.90
保存 $16.00 (15.11%)
5g
P433141-5g
受注生産 · 8~12週間

$265.90

$310.90
保存 $45.00 (14.47%)
25g
P433141-25g
受注生産 · 8~12週間

$780.90

$911.90
保存 $131.00 (14.37%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥70% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

General Description

3-Penten-2-one is volatile compound present in berry fruit of two Aronia melanocarpa genotypes. Urinary 3-penten-2-one is a useful biomarker for increased accumulation of acetaldehyde during abnormal metabolic stress.


Application

3-Penten-2-one was used in the synthesis of the alkaloids (+/-)-senepodine G and (+/-)-cermizine C.


Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 145017.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit .com/metlin.

Specifications

同義語
(3E)-3-Penten-2-one # | (E)-CH3CH=CHC(=O)CH3 | 3-01-00-02985 (Beilstein Handbook Reference) | NSC-61468 | (E)-3-Penten-2-one | AKOS015950855 | ethylideneacetone | (3E)-pent-3-en-2-one | 3-pentene-2-one | Methyl 1-propenyl ketone | 3-PENTEN-2-ONE [FHFI] |
仕様と純度
≥70%
生化学的・生理学的メカニズム
3-Penten-2-one inhibits nitric oxide production and inducible nitric oxide synthase expression via heme oxygenase-1 expression in lipopolysaccharide-activated RAW264.7 macrophages.
保管条件
Room temperature
純度
≥70%
名前と識別子
カノニカル・スマイルCC=CC(=O)C
IUPAC Name(E)-pent-3-en-2-one
InChIKeyLABTWGUMFABVFG-ONEGZZNKSA-N
INCHI1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
異性体SMILES C/C=C/C(=O)C
WGKドイツ 3
RTECS SB3850000
PubChem CID 637920
分子量 84.12
Beilstein 1633505

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
分類Organooxygen 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
説明This 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 Oxygenated hydrocarbons
3 D構造
インタラクティブ化学構造モデル





作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
屈折率1.4355
引火点(°F)69°F
引火点(°C)21℃
沸点(°C)119-121℃
分子量84.120 g/mol
XLogP30.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass84.0575 Da
Monoisotopic Mass84.0575 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count6
Formal Charge0
Complexity72.000
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
Citations of This Product
ソリューション計算機
レビュー

顧客レビュー

よくある質問

What is the purity of this product?
This product is supplied at ≥70% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 625-33-2, the molecular formula is C5H8O, and the molecular weight is 84.12 g/mol. InChIKey LABTWGUMFABVFG-ONEGZZNKSA-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.

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