1-Phenyl-1,2-propanedione - 10mM in DMSO , CAS No.579-07-7

CAS: 579-07-7 Cat. No.: P424866 Peso molecular: 148.16 Beilstein Registry Number: 7677 Número EC: 209-435-2 PubChem CID: 11363
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
EN300-98681 | SY036428 | Q27132685 | Z1255485389 | Acetyl benzoyl | 1-phenyl-1,2-propandione | Methyl phenyl diketone | 2-OXOPROPIOPHENONE | FEMA No. 3226 | Phenylmethyldiketone | A831668 | MFCD00008755 | EINECS 209-435-2 | Benzoyl methyl ketone | 1-pheny
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
P424866-1ml
1

58,90US$

69,90US$
Guardar 11,00 US$ (15.74%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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
EN300-98681 | SY036428 | Q27132685 | Z1255485389 | Acetyl benzoyl | 1-phenyl-1, 2-propandione | Methyl phenyl diketone | 2-OXOPROPIOPHENONE | FEMA No. 3226 | Phenylmethyldiketone | A831668 | MFCD00008755 | EINECS 209-435-2 | Benzoyl methyl ketone | 1-pheny
Especificaciones y pureza
10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasCC(=O)C(=O)C1=CC=CC=C1
IUPAC Name1-phenylpropane-1,2-dione
InChIKeyBVQVLAIMHVDZEL-UHFFFAOYSA-N
INCHI1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
Isómeros SMILES CC(=O)C(=O)C1=CC=CC=C1
PubChem CID 11363
Peso molecular 148.16
Beilstein 7677
Reaxy-Rn 878450

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
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassPhenylpropanes
Intermediate Tree Nodes Not available
Direct ParentPhenylpropanes
Alternative Parents Benzoyl derivatives  Aryl ketones  Alpha-diketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylpropane - Aryl ketone - Benzoyl - Alpha-diketone - Ketone - 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 phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors a small molecule
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Índice de refracción1.53
Punto de inflamación (°C)84°C
Punto de ebullición (°C)217 °C
Peso molecular148.160 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass148.052 Da
Monoisotopic Mass148.052 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity166.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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