디메틸 피멜레이트 - ≥98%(GC) , CAS No.1732-08-7

CAS: 1732-08-7 Cat. No.: D155392 분자식: C₉H₁₆O₄ 분자량: 188.22 EC 번호: 217-057-4

GRADE & PURITY ≥98%(GC)

Synonyms

dimethyl 1,7-heptanedioate | 1-Methylethyl hexanoate | Dimethyl heptanedioate | s12124 | Pimelic acid dimethyl ester | AI3-32541 | NSC52563 | NSC-52563 | FS-4247 | Dimethyl pimelate, 98+% | Pimelic acid, dimethyl ester | 9H-Purin-6-amine, N-(phenylmethyl)

Storage

실내 온도

Shipped In

보통

개요

디메틸 피멜레이트는 프탈레이트, 세바산염, 에폭시화 대두유(ESBO) 및 에틸 에스테르에스테르 전환 후 폴리아디페이트 분석의 내부 표준으로 사용되었습니다.

Specifications

동의어

dimethyl 1,7-heptanedioate | 1-Methylethyl hexanoate | Dimethyl heptanedioate | s12124 | Pimelic acid dimethyl ester | AI3-32541 | NSC52563 | NSC-52563 | FS-4247 | Dimethyl pimelate, 98+% | Pimelic acid, dimethyl ester | 9H-Purin-6-amine, N-(phenylmethyl)

사양 및 순도

≥98%(GC)

보관 조건

실내 온도

배송

보통

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504754813

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754813

정식 스마일

COC(=O)CCCCCC(=O)OC

IUPAC Name

dimethyl heptanedioate

InChIKey

SHWINQXIGSEZAP-UHFFFAOYSA-N

INCHI

1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3

이성체 SMILES

COC(=O)CCCCCC(=O)OC

WGK 독일

3

분자량

188.22

Reaxy-Rn

1777309

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1777309&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: 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: 1.43
• 발화점(°F): 230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 121.5℃
• 분자량: 188.220 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.105 Da
• Monoisotopic Mass: 188.105 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 147.000
• 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