3-Hepten-2-one - Reagent grade , CAS No.1119-44-4

CAS: 1119-44-4 Cat. No.: H431485 Formula: C7H12O Peso molecolare: 112.17 Beilstein Registry Number: 1(4)3481 Numero EC: 214-278-8
Disponibile su ordine
GRADE & PURITY Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.
Synonyms
EC 203-851-8 | 3-HEPTEN-2-ONE [FHFI] | CHEBI:169242 | Q27289996 | Butylideneacetone | 3-Hepten-2-one, AldrichCPR | EINECS 214-278-8 | Trans-3-hepten-2-one | UNII-TK02T5FJDO | EN300-6526683 | 1, 5-dibromopentane | SCHEMBL872905 | (3E)-3-Hepten-2-one | Hept
Storage
Room temperature
★
Size
Germania (EU)
USA*
Price
Qty
500mg
H431485-500mg
Su ordinazione · 8–12 settimane

165,65€

193,42€
Salva 27,77 € (14.36%)
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Why this grade

Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Panoramica

Other Notes

Please note that Aladdin provides this product to early discovery researchers as part of a collection of unique chemicals. Aladdin does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN Aladdin′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN Aladdin AND BUYER, Aladdin SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

Specifications

Sinonimi
EC 203-851-8 | 3-HEPTEN-2-ONE [FHFI] | CHEBI:169242 | Q27289996 | Butylideneacetone | 3-Hepten-2-one, AldrichCPR | EINECS 214-278-8 | Trans-3-hepten-2-one | UNII-TK02T5FJDO | EN300-6526683 | 1, 5-dibromopentane | SCHEMBL872905 | (3E)-3-Hepten-2-one | Hept
Specifiche e purezza
Reagent grade
Condizioni di conservazione di stoccaggio
Room temperature
Grado
Reagent Grade
Nomi e identificatori
Sorrisi canonici
CCCC=CC(=O)C
IUPAC Name
(E)-hept-3-en-2-one
InChIKey
JHHZQADGLDKIPM-AATRIKPKSA-N
INCHI
1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
Isomeri SMILES
CCC/C=C/C(=O)C
Peso molecolare
112.17
Beilstein
1(4)3481
Reaxy-Rn
1739239
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739239&ln=

Documentazione

📋 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
ClasseOrganooxygen 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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Indice di rifrazione1.44
Punto di infiammabilità (°C)49 °C
Punto di ebollizione (°C)156°C(lit.)
Peso molecolare112.170 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass112.089 Da
Monoisotopic Mass112.089 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity92.600
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
Domande frequenti e articoli
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What does Reagent Grade mean?
Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1119-44-4, the molecular formula is C7H12O, and the molecular weight is 112.17 g/mol. InChIKey JHHZQADGLDKIPM-AATRIKPKSA-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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