フェニルメタクリレート - ≥95%以上、安定剤として～100ppmのBHTを含む , CAS No.2177-70-0

CAS: 2177-70-0 Cat. No.: P122856 分子式: C₁₀H₁₀O₂ 分子量: 162.19 Beilstein Registry Number: 1907503 EC番号: 218-542-3

GRADE & PURITY ≥95%, contains ~100 ppm BHT as stabilizer

Synonyms

FT-0634098 | Methacrylic acid, phenyl ester | Phenyl 2-methylacrylate # | NSC 177877 | MFCD00048117 | Phenyl methacrylate,>95% | HY-W017213 | Phenyl methacrylate, 90% | 9S2Y101D6M | Phenyl methacrylate | AKOS024462357 | SCHEMBL15058 | EINECS 218-542-3 | L

Storage

アルゴン・チャージ

Shipped In

ノーマル

Specifications

同義語

FT-0634098 | Methacrylic acid, phenyl ester | Phenyl 2-methylacrylate # | NSC 177877 | MFCD00048117 | Phenyl methacrylate,>95% | HY-W017213 | Phenyl methacrylate, 90% | 9S2Y101D6M | Phenyl methacrylate | AKOS024462357 | SCHEMBL15058 | EINECS 218-542-3 | L

仕様と純度

≥95%以上、安定剤として～100ppmのBHTを含む

保管条件

アルゴン・チャージ

入荷

ノーマル

純度

≥95%

名前と識別子

パブケム・シド

508814867

カノニカル・スマイル

CC(=C)C(=O)OC1=CC=CC=C1

IUPAC Name

phenyl 2-methylprop-2-enoate

InChIKey

QIWKUEJZZCOPFV-UHFFFAOYSA-N

INCHI

1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3

異性体SMILES

CC(=C)C(=O)OC1=CC=CC=C1

WGKドイツ

3

UN番号

3272

包装グループ

III

分子量

162.19

Beilstein

1907503

Reaxy-Rn

1907503

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907503&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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

関連ターゲット（非人間）

Micrococcus luteus (7463 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Enterococcus faecalis (29875 Activities)

Explore this target

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

Bacillus cereus (7522 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Not miscible or difficult to mix with water.
• 感度: Air & Light Sensitive
• 屈折率: 1.515
• 引火点（°F）: 140 °F
• 引火点（°C）: 60°(140°F)
• 沸点（°C）: 115-116°C/10mm
• 融点（°C）: 17 °C
• 分子量: 162.180 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 178.000
• 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