1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylate

HCID 18443720

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Grundinformationen

CAS: 853064-87-6
Standard-SMILES: C=C(C)C(=O)OCC(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIKey: WNAVFWSIXYHORQ-UHFFFAOYSA-N
Summenformel: C11H14F6O3
Durchschnittliche Molmasse: 308,22 g/mol
Monoisotopische Masse: 308,08471328

Namen und Bezeichner

Bevorzugter Name: 1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylate
IUPAC: [5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate
Englischer Name: 1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate
Summenformel: C11H14F6O3
Molmasse: 308.22

Namen und Synonyme

1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylateRefChem:409448663-483-2853064-87-65,5,5-Trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl methacrylate5,5,5-Trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl 2-methylprop-2-enoateSCHEMBL2976959DTXSID40593825[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate, >97%2-Propenoic acid, 2-methyl-, 5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl ester1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate

Weitere Namen anzeigen

1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4Chemicalbook-methyl-5-pentylmethacrylate

Datenbank-Bezeichner

CAS: 853064-87-6
PubChem CID: 18443720
DTXSID: DTXSID40593825
EC Number: 663-483-2
Nikkaji: J2.734.605G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 6
Schwere Atome: 20
Formalladung: 0
Komplexität: 357

Physikochemische Eigenschaften

Siedepunkt: 291.3 · 291.3±40.0 °C(Predicted)
Dichte: 1.302 g/mL · 1.302 g/mL at 25 °C
Flammpunkt: 110 ℃ · >110℃
pka: 9.56 · 9.56±0.29(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.