1-(Tert-butoxy)-4-ethenylbenzene

HCID 577531CAS 95418-58-9

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Grundinformationen

Standard-SMILES: C=Cc1ccc(OC(C)(C)C)cc1
InChIKey: GRFNSWBVXHLTCI-UHFFFAOYSA-N
Summenformel: C12H16O
Durchschnittliche Molmasse: 176,25 g/mol
Monoisotopische Masse: 176,12011513

Namen und Bezeichner

Bevorzugter Name: 1-(Tert-butoxy)-4-ethenylbenzene
IUPAC: 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
Englischer Name: 4-tert-Butoxystyrene
Summenformel: C12H16O
Molmasse: 176.25

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 38 °C · −38 °C(lit.)
Siedepunkt: 256.8 · 256.8±9.0 °C Press: 760 Torr
Dichte: 0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
Dampfdruck: 17.999 Pa · 17.999Pa at 20℃
Brechungsindex: 20 · n20/D 1.524(lit.)
Flammpunkt: 207 °F · 207 °F
storage temp.: 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 Datenbank: 95418 · 95418-58-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2902900000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-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.).

Verwenden4-tert-Butoxystyrene is used in organic synthesis. It is used to synthesize 4'-tert-butoxy-biphenyl-4-carboxylic acid methyl ester.