Tributyl citrate - ≥98% , CAS No.77-94-1

CAS: 77-94-1 Cat. No.: T105179 分子式: C₁₈H₃₂O₇ 分子量: 360.44 Beilstein Registry Number: 1806072 EC番号: 201-071-2 PubChem CID: 6507

グレード＆純度 ≥98%

Synonyms

Citroflex c 4 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester | Tributyl 2-Hydroxypropane-1,2,3-tricarboxylate (Tributyl Citrate) | Tributyl citrate | InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4

Storage

Room temperature

Shipped In

Normal

概要

Tributyl citrate is a common solvent and plasticizer for polymers like PVC and its copolymers that are used in food wrapping films. Also, it is a common plasticizer employed in food contact materials, cosmetics, and food additives.
Tributyl citrate can be used:
To incorporate in zein film to enhance its mechanical properties for industrial processing.
As a plasticizer to improve the ductile properties of poly(lactide) polymers.

仕様

同義語

Citroflex c 4 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester | Tributyl 2-Hydroxypropane-1,2,3-tricarboxylate (Tributyl Citrate) | Tributyl citrate | InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488180082

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180082

カノニカル・スマイル

CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O

IUPAC Name

tributyl 2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

ZFOZVQLOBQUTQQ-UHFFFAOYSA-N

INCHI

1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3

異性体SMILES

CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O

WGKドイツ

1

RTECS

TZ8608000

PubChem CID

6507

分子量

360.44

Beilstein

1806072

Reaxy-Rn

1806072

Taxonomic Classification

Taxonomy Tree

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

• 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 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
• 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.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Immiscible with water.
• 感度: Moisture sensitive.
• 屈折率: 1.443-1.446
• 引火点（°C）: 157℃
• 沸点（°C）: 233 °C/22 mmHg
• 融点（°C）: -20°C
• 分子量: 360.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 360.215 Da
• Monoisotopic Mass: 360.215 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 382.000
• 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

よくある質問

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 at room temperature.

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 77-94-1, the molecular formula is C18H32O7, and the molecular weight is 360.44 g/mol. InChIKey ZFOZVQLOBQUTQQ-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.