Dimethyl adipate(DMA) - Standard for GC, ≥99.5%(GC) , CAS No.627-93-0

CAS: 627-93-0 Cat. No.: D103059 분자식: C₈H₁₄O₄ 분자량: 174.19 Beilstein Registry Number: 1707443 EC 번호: 211-020-6

등급 & 순도 Standard for GC, ≥99.5%(GC)

Synonyms

Dimethyl adipate|627-93-0|Dimethyl hexanedioate|HEXANEDIOIC ACID, DIMETHYL ESTER|Dimethyladipate|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|1,6-Dimethylhexanedioate|DBE 6|1,6-dimethyl hexanedioate|hexanedioic acid dimethyl ester|MFCD00008469|a

Storage

Room temperature

Shipped In

Normal

사양

동의어

Dimethyl adipate | 627-93-0 | Dimethyl hexanedioate | HEXANEDIOIC ACID, DIMETHYL ESTER | Dimethyladipate | Adipic acid dimethyl ester | Adipic acid, dimethyl ester | 1,6-Dimethylhexanedioate | DBE 6 | 1,6-dimethyl hexanedioate | hexanedioic acid dimethyl ester | MFCD00008469 | a

사양 및 순도

Standard for GC, ≥99.5%(GC)

보관 조건

Room temperature

배송

Normal

등급

Standard for GC

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

528771591

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771591

정식 스마일

COC(=O)CCCCC(=O)OC

IUPAC Name

dimethyl hexanedioate

InChIKey

UDSFAEKRVUSQDD-UHFFFAOYSA-N

INCHI

1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

이성체 SMILES

COC(=O)CCCCC(=O)OC

WGK 독일

1

RTECS

AV1645000

분자량

174.19

Beilstein

1707443

Reaxy-Rn

1707443

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707443&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 methyl esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - 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 methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: fatty acid methyl ester

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(인간)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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관련 대상(비인간)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 굴절률: 1.4285
• 발화점(°F): 107℃
• 발화점(°C): 107℃
• 끓는점(°C): 215-225 °C
• 녹는점(°C): 8°C
• 분자량: 174.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 135.000
• 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