Diethyl Butylmalonate - ≥99%(GC) , CAS No.133-08-4

CAS: 133-08-4 Cat. No.: D154202 분자식: C₁₁H₂₀O₄ 분자량: 216.28 Beilstein Registry Number: 2(1)282 EC 번호: 205-089-1

GRADE & PURITY ≥99%(GC)

Synonyms

2-butyl-propanedioic acid diethyl ester | Propanedioic acid, butyl-, diethyl ester | Diethyl 2-butylmalonate | J-802186 | UNII-CYY2Q744WB | Diethyl normal-butylmalonate | Malonic acid, butyl-, diethyl ester | MFCD00009170 | A806551 | BS-49200 | diethyl-n-

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

2-butyl-propanedioic acid diethyl ester | Propanedioic acid, butyl-, diethyl ester | Diethyl 2-butylmalonate | J-802186 | UNII-CYY2Q744WB | Diethyl normal-butylmalonate | Malonic acid, butyl-, diethyl ester | MFCD00009170 | A806551 | BS-49200 | diethyl-n-

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

504754135

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754135

정식 스마일

CCCCC(C(=O)OCC)C(=O)OCC

IUPAC Name

diethyl 2-butylpropanedioate

InChIKey

RPNFNBGRHCUORR-UHFFFAOYSA-N

INCHI

1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3

이성체 SMILES

CCCCC(C(=O)OCC)C(=O)OCC

WGK 독일

1

분자량

216.28

Beilstein

2(1)282

Reaxy-Rn

608785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• 굴절률: 1.423
• 발화점(°F): 199°F
• 발화점(°C): 93℃
• 끓는점(°C): 236-239℃
• 분자량: 216.270 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 216.136 Da
• Monoisotopic Mass: 216.136 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 183.000
• 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, and how is it determined?

This product is supplied at ≥99% 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.

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 133-08-4, the molecular formula is C11H20O4, and the molecular weight is 216.28 g/mol. InChIKey RPNFNBGRHCUORR-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.