CAS 95418-58-9 1-(Tert-butoxy)-4-ethenylbenzene (HCID 577531)

名称と識別子

優先名称: 1-(Tert-butoxy)-4-ethenylbenzene
IUPAC: 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
現地名: 4-(tert-ブトキシ)スチレン
英語名: 4-tert-Butoxystyrene
分子式: C12H16O
分子量: 176.25

名称と別名

1-(tert-butoxy)-4-ethenylbenzeneRefChem:428686619-127-34-tert-Butoxystyrene95418-58-94-t-Butoxystyrenep-tert-butoxystyrene1-tert-Butoxy-4-vinylbenzene1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene4-tert-Butoxystyrene (stabilized with TBC)MFCD00145183p-tert-butyloxystyrene

名称をさらに表示

4-tert-ブチルオキシスチレンα-ブトキシスチレン4-ビニルフェニル(tert-ブチル)エーテルp-(tert-ブチルオキシ)スチレン4-tert-ブトキシ-1-エテニルベンゼン1-ビニル-4-(tert-ブチルオキシ)ベンゼン4-(tert-ブトキシ)スチレン(1-ブトキシビニル)ベンゼン(1-ブトキシエテニル)ベンゼン(4-ビニルフェニル)(tert-ブチル)エーテルtert-ブチル(4-ビニルフェニル)エーテルブチル1-フェニルエテニルエーテル4-(tert-ブチルオキシ)スチレンp-tert-ブトキシスチレン4-tert-ブトキシスチレンtert-ブチル=p-ビニルフェニル=エーテルｔ－ブチル＝ｐ－ビニルフェニル＝エーテルｔｅｒｔブチル＝ｐビニルフェニル＝エテルP-T-ブトキシスチレンtert-ブチル4-ビニルフェニルエーテルP-T-BUTOXYSTYRENE1-ethenylbutoxy styrene4-tert-butoxystyene(1-Butoxyvinyl)benzene4-tert-Butyloxystyrene4-Vinyltert-butylether

Benzene, 1-(1,1-dimethylethoxy)-4-ethenyl-p-tertbutoxystyrenep-t-butoxy styrene4-(tert-butoxy)styreneSCHEMBL1318601-tert-butoxy-4-vinyl-benzene1-tert-Butoxy-4-ethenylbenzeneSCHEMBL10396231

データベース識別子

CAS: 95418-58-9
PubChem CID: 577531
DTXSID: DTXSID30341978
EC Number: 619-127-3
Nikkaji: J254.910G

物性

構造計算による物性

XLogP: 3.7
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 38 °C · −38 °C(lit.)
沸点: 256.8 · 256.8±9.0 °C Press: 760 Torr
比重(密度): 0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
蒸気圧: 17.999 Pa · 17.999Pa at 20℃
屈折率: 20 · n20/D 1.524(lit.)
闪点: 207 °F · 207 °F
貯蔵温度: 2 · 2-8°C
InChI: InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3
InChIKey: GRFNSWBVXHLTCI-UHFFFAOYSA-N
SMILES: C1(OC(C)(C)C)=CC=C(C=C)C=C1
LogP: 3.83 at · 3.83 at 22℃ and pH7
CAS データベース: 95418 · 95418-58-9(CAS DataBase Reference)

化学的性質

化学的特性Colorless to Almost colorless clear liquid.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 28-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33207

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2902900000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明4-tert-butoxystyrene is a pendant functionalized styrene that structurally, It is similar to PMOS, both carrying an alkoxyl p-substituent, whose electron-donating and resonance effects allow them to be'polymerized by cationic, anionic, and radical mechanisms. It is used to treatment of its polymers with an acid leads to poly(4-vinylphenol), which finds a wide variety of applications to photoresists, epoxy-curing agents, adhesives, etc.).

使用4-tert-Butoxystyrene is used in organic synthesis. It is used to synthesize 4'-tert-butoxy-biphenyl-4-carboxylic acid methyl ester.