α-Methylstyrene - ≥99%, contains p-tert-butylcatechol as inhibitor , CAS No.98-83-9

CAS: 98-83-9 Cat. No.: M104900 분자식: C₉H₁₀ 분자량: 118.18 Beilstein Registry Number: 969405 EC 번호: 202-705-0

GRADE & PURITY ≥99%, contains p-tert-butylcatechol as inhibitor

Synonyms

(1-Methylethenyl)benzene | Styrene, alpha-methyl- | 2-Phenylpropene | 2-phenyl-propene | ghl.PD_Mitscher_leg0.286 | .alpha.-Metil-stirolo | 1-Propene, 2-phenyl- | .ALPHA.-METHYLVINYLBENZENE | 1-METHYLVINYL BENZENE | D46R9753IK | Isopropenil-benzolo | alph

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

개요

-Methylstyrene is an aromatic alkyl-substituted styrene monomer with a relatively high boiling point. It is widely used as a monomer to synthesize thermoplastic composite resins applied in adhesives, and coatings that require high-temperature stability. It can also participate as a precursor in regioselective and diastereoselective synthesis of natural products, pharmaceuticals, and other structurally diverse compounds.

Specifications

동의어

(1-Methylethenyl)benzene | Styrene, alpha-methyl- | 2-Phenylpropene | 2-phenyl-propene | ghl.PD_Mitscher_leg0.286 | .alpha.-Metil-stirolo | 1-Propene, 2-phenyl- | .ALPHA.-METHYLVINYLBENZENE | 1-METHYLVINYL BENZENE | D46R9753IK | Isopropenil-benzolo | alph

사양 및 순도

≥99%, contains p-tert-butylcatechol as inhibitor

애플리케이션

α-Methylstyrene can be used: As a monomer to prepare “Phene” monomer for photopolymerizable dental resin composites to reduce their polymerization shrinkage. α-Methylstyrene has a low double bond concentration suitable for the preparation of low volumetri

보관 조건

Store at 2-8°C

배송

Wet ice,FedEx DG Service

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순수함

≥99%

이름과 식별자

Pubchem Sid

488180414

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180414

정식 스마일

CC(=C)C1=CC=CC=C1

IUPAC Name

prop-1-en-2-ylbenzene

InChIKey

XYLMUPLGERFSHI-UHFFFAOYSA-N

INCHI

1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3

이성체 SMILES

CC(=C)C1=CC=CC=C1

WGK 독일

2

RTECS

WL5075300

UN 번호

2303

포장 그룹

III

분자량

118.18

Beilstein

969405

Reaxy-Rn

969405

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969405&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylpropenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylpropenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropenes
• Alternative Parents: Styrenes Aromatic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropene - Styrene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.
• External Descriptors: olefinic compound

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)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

관련 대상(비인간)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water; Degree of Solubility in water: 0.12 g/l 20 °C; Miscible with Acetone; Soluble in Ether,Heptane,Alcohol,Benzene,Chloroform
• 감도: Heat Sensitive
• 굴절률: 1.53864
• 발화점(°F): 114.8 °F - closed cup
• 발화점(°C): 46 °C - closed cup
• 끓는점(°C): 165-169°C
• 녹는점(°C): -23.°C
• 분자량: 118.180 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 96.600
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98-83-9, the molecular formula is C9H10, and the molecular weight is 118.18 g/mol. InChIKey XYLMUPLGERFSHI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.