Ethyl (2-methoxy-5-methylphenyl)(oxo)acetate , CAS No.859775-82-9

CAS: 859775-82-9 Cat. No.: E1308917 Formule: C12H14O4 Poids moléculaire: 222.24 PubChem CID: 24722274
DISPONIBLE À COMMANDE
Storage
Room temperature
Shipped In
Normal
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Size
Allemagne (EU)
USA*
Price
Qty
250mg
E1308917-250mg
Sur commande · 8–12 semaines
222,92€
500mg
E1308917-500mg
Sur commande · 8–12 semaines
297,55€
1g
E1308917-1g
Sur commande · 8–12 semaines
395,60€
2g
E1308917-2g
Sur commande · 8–12 semaines
767,86€
5g
E1308917-5g
Sur commande · 8–12 semaines
1 499,37€
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

Specifications

Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Noms et identifiants
Sourires canoniques
CCOC(=O)C(=O)C1=C(C=CC(=C1)C)OC
IUPAC Name
ethyl 2-(2-methoxy-5-methylphenyl)-2-oxoacetate
InChIKey
STYOUXSMZIJPGG-UHFFFAOYSA-N
INCHI
1S/C12H14O4/c1-4-16-12(14)11(13)9-7-8(2)5-6-10(9)15-3/h5-7H,4H2,1-3H3
Isomères SMILES
CCOC(=O)C(=O)C1=C(C=CC(=C1)C)OC
PubChem CID
24722274
Poids moléculaire
222.24

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoyl derivatives
Alternative Parents Phenoxy compounds  Methoxybenzenes  Aryl ketones  Anisoles  Toluenes  Alkyl aryl ethers  Alpha-keto acids and derivatives  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Anisole - Methoxybenzene - Aryl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Toluene - Alpha-keto acid - Keto acid - Carboxylic acid ester - Ketone - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire222.240 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass222.089 Da
Monoisotopic Mass222.089 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count16
Formal Charge0
Complexity262.000
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
Calculateurs de solution
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