3-Methoxypropionic Acid Methyl Ester - ≥99%(GC) , CAS No.3852-09-3

CAS: 3852-09-3 Cat. No.: M134953 분자식: C₅H₁₀O₃ 분자량: 118.13 Beilstein Registry Number: 3297 EC 번호: 223-358-1

GRADE & PURITY ≥99%(GC)

Synonyms

EINECS 223-358-1 | Methyl .beta.-methoxypropionate | Methylester kyseliny 3-methoxypropionove [Czech] | NCGC00357254-01 | NSC65578 | NSC-65578 | PROPIONIC ACID, 3-METHOXY-, METHYL ESTER | Tox21_304047 | A824180 | STL190840 | .beta.-Methoxypropionic acid,

Storage

Room temperature

Shipped In

Normal

개요

It may be employed as acylation reagent for the lipase-catalyzed N-acylation of 1-phenylethanamine.It may be used in the synthesis of poly(2-hydroxylethyl 5-norbornene-2-carboxylate /t-butyl 5-norbornene-2-carboxylate /5-norbornene-2-carboxylic acid /maleic anhydride) resists. Lithographic performance of these resists was studied using ArF stepper.

Specifications

동의어

EINECS 223-358-1 | Methyl .beta.-methoxypropionate | Methylester kyseliny 3-methoxypropionove [Czech] | NCGC00357254-01 | NSC65578 | NSC-65578 | PROPIONIC ACID, 3-METHOXY-, METHYL ESTER | Tox21_304047 | A824180 | STL190840 | .beta.-Methoxypropionic acid,

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥99%(GC)

이름과 식별자

• Pubchem Sid: 488182560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182560
• 정식 스마일: COCCC(=O)OC
• IUPAC Name: methyl 3-methoxypropanoate
• InChIKey: BDJSOPWXYLFTNW-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
• 이성체 SMILES: COCCC(=O)OC
• RTECS: UF5274000
• UN 번호: 3272
• 포장 그룹: III
• 분자량: 118.13
• Beilstein: 3297
• Reaxy-Rn: 1744829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744829&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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 methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H 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: 1.4010 to 1.4040
• 발화점(°F): 116.6 °F
• 발화점(°C): 47°C
• 끓는점(°C): 144°C
• 분자량: 118.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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