Dibutyl DL-Malate - ≥95%(GC) , CAS No.6280-99-5

CAS: 6280-99-5 Cat. No.: D155899 분자식: C₁₂H₂₂O₅ 분자량: 246.3 EC 번호: 228-485-6

GRADE & PURITY ≥95%(GC)

Synonyms

DTXSID20862703 | Malic acid, dibutyl ester, (.+/-.)- | (+/-)-Dibutyl malate | Esparsomicina | FT-0716331 | Butanedioic acid, dibutyl ester, (.+-.)- | Dibutyl 2-hydroxysuccinate | Dl-malic acid, di-n-butyl ester | DL-Apple acid Di-N-butyl ester | NSC6194 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID20862703 | Malic acid, dibutyl ester, (.+/-.)- | (+/-)-Dibutyl malate | Esparsomicina | FT-0716331 | Butanedioic acid, dibutyl ester, (.+-.)- | Dibutyl 2-hydroxysuccinate | Dl-malic acid, di-n-butyl ester | DL-Apple acid Di-N-butyl ester | NSC6194 |

사양 및 순도

≥95%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• 정식 스마일: CCCCOC(=O)CC(C(=O)OCCCC)O
• IUPAC Name: dibutyl 2-hydroxybutanedioate
• InChIKey: PDSCSYLDRHAHOX-UHFFFAOYSA-N
• INCHI: 1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3
• 이성체 SMILES: CCCCOC(=O)CC(C(=O)OCCCC)O
• 분자량: 246.3
• Reaxy-Rn: 1790575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790575&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - 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 beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• 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

화학 및 물리적 특성

• 감도: Moisture sensitive；
• 굴절률: 1.44
• 분자량: 246.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 246.147 Da
• Monoisotopic Mass: 246.147 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 227.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 6280-99-5, the molecular formula is C12H22O5, and the molecular weight is 246.3 g/mol. InChIKey PDSCSYLDRHAHOX-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.