Triethyl citrate(TEC) - ≥98% , CAS No.77-93-0

CAS: 77-93-0 Cat. No.: T106153 분자식: C₁₂H₂₀O₇ 분자량: 276.28 Beilstein Registry Number: 1801199 EC 번호: 201-070-7 PubChem CID: 6506

등급 & 순도 ≥98%

Synonyms

TRIETHYL CITRATE | TRIETHYL CITRATE [USP-RS] | Triaethylcitrat [German] | Triethyl citrate, Vetec(TM) reagent grade, 98% | Citroflex 2 | TRIETHYL CITRATE [FCC] | SR-01000883952-1 | Triethyl citrate, United States Pharmacopeia (USP) Reference Standard | TR

Storage

Room temperature,Desiccated

Shipped In

Normal

개요

Triethyl citrate was used as a plasticizer in the study of the feasibility of near-infrared (NIR) spectroscopy in determining the influence of plasticizer levels and sintering temperature on the breaking force of extended-release matrix tablets prepared by roller-compaction

사양

동의어

TRIETHYL CITRATE | TRIETHYL CITRATE [USP-RS] | Triaethylcitrat [German] | Triethyl citrate, Vetec(TM) reagent grade, 98% | Citroflex 2 | TRIETHYL CITRATE [FCC] | SR-01000883952-1 | Triethyl citrate, United States Pharmacopeia (USP) Reference Standard | TR

사양 및 순도

≥98%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504751106

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751106

정식 스마일

CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

IUPAC Name

triethyl 2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

DOOTYTYQINUNNV-UHFFFAOYSA-N

INCHI

1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

이성체 SMILES

CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

WGK 독일

1

RTECS

GE8050000

PubChem CID

6506

분자량

276.28

Beilstein

1801199

Reaxy-Rn

1801199

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Fatty acid esters Tertiary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Tertiary alcohol - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 설명: 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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(비인간)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with water, alcohol and diethyl ether.
• 굴절률: 1.44-1.443
• 발화점(°F): 311 °F
• 발화점(°C): 155℃
• 끓는점(°C): 235°C
• 녹는점(°C): -46°C
• 분자량: 276.280 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 276.121 Da
• Monoisotopic Mass: 276.121 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 304.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 77-93-0, the molecular formula is C12H20O7, and the molecular weight is 276.28 g/mol. InChIKey DOOTYTYQINUNNV-UHFFFAOYSA-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.