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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Trimethyl citrate - ≥98% , CAS No.1587-20-8
Synonyms
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trimethyl ester | NCIOpen2_004149 | Trimethyl citrate | HDDLVZWGOPWKFW-UHFFFAOYSA-N | SCHEMBL168730 | TRIMETHYLCITRATE | 1,2,3-trimethyl 2-hydroxypropane-1,2,3-tricarboxylate | 1,3-Propanetricarboxylic aci
Storage
Room temperature,Desiccated
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 同義語
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trimethyl ester | NCIOpen2_004149 | Trimethyl citrate | HDDLVZWGOPWKFW-UHFFFAOYSA-N | SCHEMBL168730 | TRIMETHYLCITRATE | 1,2,3-trimethyl 2-hydroxypropane-1,2,3-tricarboxylate | 1,3-Propanetricarboxylic aci
保管条件
Room temperature,Desiccated
名前と識別子 パブケム・シド 488184871 パブケム・シド・ウル https://pubchem.ncbi.nlm.nih.gov/substance/488184871 カノニカル・スマイル COC(=O)CC(CC(=O)OC)(C(=O)OC)O IUPAC Name trimethyl 2-hydroxypropane-1,2,3-tricarboxylate InChIKey HDDLVZWGOPWKFW-UHFFFAOYSA-N INCHI 1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3 異性体SMILES COC(=O)CC(CC(=O)OC)(C(=O)OC)O WGKドイツ 3 PubChem CID 74112 分子量 234.2 Beilstein 1796169 Reaxy-Rn 1796169
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 Organic acids and derivatives 分類 Carboxylic acids and derivatives Subclass Tricarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Tricarboxylic acids and derivatives Alternative Parents Fatty acid methyl esters Tertiary alcohols Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Tricarboxylic acid or derivatives - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound 説明 This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. 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） 関連ターゲット（非人間） 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 溶解度 Solubility in Methanol almost transparency 感度 Moisture sensitive. 沸点（°C） 176°C 融点（°C） 79°C 分子量 234.200 g/mol XLogP3 -1.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 8 Exact Mass 234.074 Da Monoisotopic Mass 234.074 Da Topological Polar Surface Area 99.100 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 266.000 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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