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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Ethyl Vanillate - ≥97% , CAS No.617-05-0
Synonyms
ethylvanillate | Q27291476 | m-Anisic acid, ethyl ester | ethyl 4-hydoxy-3-methoxybenzoate | Ethyl 4-hydroxy-3-methoxybenzoate | ethyl 4-hydroxy-3-methoxy-benzoate | EINECS 210-503-9 | Caffeoyl Efhylesfer,(S) | HY-B1643 | NSC 8513 | Vanilicacidethylester;
Storage
Argon charged,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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 同義語
ethylvanillate | Q27291476 | m-Anisic acid, ethyl ester | ethyl 4-hydoxy-3-methoxybenzoate | Ethyl 4-hydroxy-3-methoxybenzoate | ethyl 4-hydroxy-3-methoxy-benzoate | EINECS 210-503-9 | Caffeoyl Efhylesfer,(S) | HY-B1643 | NSC 8513 | Vanilicacidethylester;
保管条件
Argon charged,Room temperature
名前と識別子 パブケム・シド 488181518 パブケム・シド・ウル https://pubchem.ncbi.nlm.nih.gov/substance/488181518 カノニカル・スマイル CCOC(=O)C1=CC(=C(C=C1)O)OC IUPAC Name ethyl 4-hydroxy-3-methoxybenzoate InChIKey MWAYRGBWOVHDDZ-UHFFFAOYSA-N INCHI 1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3 異性体SMILES CCOC(=O)C1=CC(=C(C=C1)O)OC RTECS YW5425000 分子量 196.205 Beilstein 10397 Reaxy-Rn 2100025 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100025&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 Kingdom Organic compounds Superclass Benzenoids 分類 Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Methoxybenzoic acids and derivatives Direct Parent M-methoxybenzoic acids and derivatives Alternative Parents p-Hydroxybenzoic acid alkyl esters Methoxyphenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoate ester - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound 説明 This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3 D構造 関連ターゲット（人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 感度 Air Sensitive 沸点（°C） 108-110°C 融点（°C） 39-41°C 分子量 196.200 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 196.074 Da Monoisotopic Mass 196.074 Da Topological Polar Surface Area 55.800 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 193.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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