4-Butoxyphenol

HCID 31233

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Grundinformationen

CAS: 122-94-1
Standard-SMILES: CCCCOc1ccc(O)cc1
InChIKey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
Summenformel: C10H14O2
Durchschnittliche Molmasse: 166,22 g/mol
Monoisotopische Masse: 166,09937969

Namen und Bezeichner

Bevorzugter Name: 4-Butoxyphenol
IUPAC: 4-butoxyphenol
Lokaler Name: 4-Butoxyphenol
Englischer Name: 4-Butoxyphenol
Summenformel: C10H14O2
Molmasse: 166.22

Namen und Synonyme

4-BUTOXYPHENOL122-94-1Phenol, 4-butoxy-p-ButoxyphenolPhenol, p-butoxy-8188DBS68JNSC-60292DTXSID4059548RefChem:98235DTXCID7033735204-583-4Hydroquinone Monobutyl Ether

Weitere Namen anzeigen

4-N-BUTOXYPHENOLPARA-BUTOXYPHENOL4-butoxy-pheno4-Buthoxy phenol4-BUTYLOXYPHENOL4- isbutylphenol

4-Butoxy-phenolMFCD00002336Hydroquinone Butyl EtherNSC 60292UNII-8188DBS68JEINECS 204-583-4Phenol, 4-?butoxy-4-Butoxyphenol, 98%

Datenbank-Bezeichner

CAS: 122-94-1
PubChem CID: 31233
DTXSID: DTXSID4059548
ChEMBL: CHEMBL224262
ChEBI: CHEBI:34392
UNII: 8188DBS68J
EC Number: 204-583-4
Nikkaji: J27.317A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 106

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-66 °C(lit.)
Siedepunkt: 165 °C · 165 °C / 2mmHg
Dichte: 1.006 · 1.0060 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in acetone and ethanol.
pka: 10.33 · 10.33±0.15(Predicted)
Aggregatzustand: Solid
Farbe: Light Brown to Brown
InChI: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
InChIKey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(OCCCC)C=C1
CAS Datenbank: 122 · 122-94-1(CAS DataBase Reference)
NIST chemische Informationen: P-butoxyphenol(122-94-1)
EPA chemische Informationen: 4 · Phenol, 4-butoxy- (122-94-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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.

Gefahrenhinweise

Regulatory InformationChemical: Phenol, 4-butoxy-

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)

Regulatorische Informationen

Regulatory InformationChemical: Phenol, 4-butoxy-

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2811
hs_code: 29095000
risk_code: 22-37/38-40-41-43-52/53-42/43-36/37/38-23/24/25-45-R42/43-R36/37/38-R23/24/25-R45
hazard_code: Xn,Xi,T
safety_code: 26-36/37/39-61-53-45-22-S53-S45-S36/37/39-S26-S22-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral