2-Phenoxyisobuttersure

Fibric acid

HCID 70343CAS 943-45-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(Oc1ccccc1)C(=O)O
InChIKey: ILPUOPPYSQEBNJ-UHFFFAOYSA-N
Summenformel: C10H12O3
Durchschnittliche Molmasse: 180,2 g/mol
Monoisotopische Masse: 180,07864424

Namen und Bezeichner

Bevorzugter Name: Fibric acid
IUPAC: 2-methyl-2-phenoxypropanoic acid
Lokaler Name: 2-Phenoxyisobuttersure
Englischer Name: 2-Methyl-2-phenoxy-propionic acid
Summenformel: C10H12O3
Molmasse: 180.2

Namen und Synonyme

943-45-3Phenoxyisobutyric acidfibric acid2-Phenoxyisobutyric acid2-Methyl-2-phenoxypropionic acid2-phenoxy-2-methylpropionic acidDTXSID40241410NSC-340106848ST447Qmethyl-2-phenoxypropanoic acidRefChem:140387DTXCID40163901

Weitere Namen anzeigen

AKOS B0139082-PHENOXY-PROPIONICCHEMBRDG-BB 3013908ART-CHEM-BB B0139082-PHENOXY ISOBUTYRIC ACID2-methyl-2-phenoxypropanoicaci2-methyl-2-phenoxy-propionicaci

213-402-82-methyl-2-phenoxypropanoic acid2-methyl-2-phenoxy-propanoic acid2-Methyl-2-phenoxy-propionic acidMFCD00129939Propanoic acid, 2-methyl-2-phenoxy-2-phenoxy-2-methylpropanoic acidEINECS 213-402-8

Datenbank-Bezeichner

CAS: 943-45-3
PubChem CID: 70343
DTXSID: DTXSID40241410
UNII: 6848ST447Q
EC Number: 213-402-8
Nikkaji: J298.547K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 98 to · 98.0 to 102.0 °C
Siedepunkt: 289.3 · 289.3±13.0 °C(Predicted)
Dichte: 1.143 · 1.143±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 3.26 · 3.26±0.10(Predicted)
Farbe: White to Orange to Green
Wasserlöslichkeit: 1000 g/L · 1000g/L at 25℃

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 3 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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.