Methyl acrylate - analytical standard, ≥99.5%(GC), Containing ≤ 100 ppm MEHQ stabilizer , CAS No.96-33-3

CAS: 96-33-3 Cat. No.: M100032 분자식: C₄H₆O₂ 분자량: 86.09 Beilstein Registry Number: 605396 EC 번호: 202-500-6

GRADE & PURITY Analytical standard, ≥99.5%(GC), Containing ≤ 100 ppm MEHQ stabilizer

Synonyms

METHYL ACRYLATE|96-33-3|Methylacrylate|Methyl prop-2-enoate|Acrylic acid methyl ester|2-Propenoic acid, methyl ester|Methyl propenoate|Methyl 2-propenoate|Methylacrylaat|Metilacrilato|Methyl-acrylat|Methoxycarbonylethylene|Acrylate de methyle|Acrylic acid

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

METHYL ACRYLATE | 96-33-3 | Methylacrylate | Methyl prop-2-enoate | Acrylic acid methyl ester | 2-Propenoic acid, methyl ester | Methyl propenoate | Methyl 2-propenoate | Methylacrylaat | Metilacrilato | Methyl-acrylat | Methoxycarbonylethylene | Acrylate de methyle | Acrylic acid

사양 및 순도

analytical standard, ≥99.5%(GC), Containing ≤ 100 ppm MEHQ stabilizer

보관 조건

Protected from light,Room temperature

배송

FedEx DG Service

등급

분석 표준물질

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508811691

정식 스마일

COC(=O)C=C

IUPAC Name

methyl prop-2-enoate

InChIKey

BAPJBEWLBFYGME-UHFFFAOYSA-N

INCHI

1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3

이성체 SMILES

COC(=O)C=C

WGK 독일

2

RTECS

AT2800000

UN 번호

1919

포장 그룹

II

분자량

86.09

Beilstein

605396

Reaxy-Rn

605396

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605396&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acid esters
• Alternative Parents: Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
• External Descriptors: enoate 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)

TYMS Tclin Thymidylate synthase (1651 Activities)

Discover Target: TYMS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Aspergillus niger (16508 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mucor mucedo (338 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 굴절률: 1.401
• 발화점(°F): 26.6 °F
• 발화점(°C): -3℃
• 끓는점(°C): 80°C
• 녹는점(°C): -75°C
• 분자량: 86.090 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 65.900
• 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