CAS 1638-22-8 4-Butylphenol (HCID 15420)

Namen und Bezeichner

Bevorzugter Name: 4-Butylphenol
IUPAC: 4-butylphenol
Lokaler Name: 4-Butylphenol
Englischer Name: 4-Butylphenol
Summenformel: C10H14O
Molmasse: 150.22

Namen und Synonyme

4-Butylphenol4-n-Butylphenolp-ButylphenolPhenol, 4-butyl-Phenol, p-butyl-1-Hydroxy-4-n-butylbenzenep-n-ButylphenolPhenol, p-butylNSC 407848DTXSID30474251-(p-Hydroxyphenyl)butaneEINECS 216-672-5

Weitere Namen anzeigen

butylphenol4PO4-butyl-phenophenol,p-butylPhenol,p-butyl-Phenol,4-butyl-

BRN 20421204-(BUT-1-YL)PHENOLUNII-22985E4F3QAI3-22444P-(N-BUTYL)PHENOL22985E4F3QNSC-407848DTXCID1027425

Datenbank-Bezeichner

CAS: 1638-22-8
PubChem CID: 15420
DTXSID: DTXSID3047425
ChEMBL: CHEMBL152295
ChEBI: CHEBI:34437
UNII: 22985E4F3Q
EC Number: 216-672-5
Nikkaji: J13.056G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 93

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1360.6；1361.8；1364.4；1335；1386

2360

Collision Cross Section140.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3047425]

Physikochemische Eigenschaften

Schmelzpunkt: 22 °C · 22°C
Siedepunkt: 138 · 138-139°C 18mm
Dichte: 0 · 0,98 g/cm3
Brechungsindex: 1.517 · 1.5170
Flammpunkt: 245 °C · 245°C
storage temp.: RT, stored under nitrogen
pka: 10.11 · 10.11±0.13(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Brown
Wasserlöslichkeit: Not miscible with water.
BRN: 2042120 · 2042120
InChI: InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
InChIKey: CYYZDBDROVLTJU-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(CCCC)C=C1
CAS Datenbank: 1638 · 1638-22-8(CAS DataBase Reference)
NIST chemische Informationen: 4 · Phenol, 4-butyl-(1638-22-8)
EPA chemische Informationen: p-Butylphenol (1638-22-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (30.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (28.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 135 reports by companies from 7 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-butyl-

Other Safety InformationEvaluation - Propyl and butyl phenols

Hazard Classes and CategoriesAcute Tox. 4 (30.4%)；Skin Corr. 1B (100%)；Eye Dam. 1 (28.1%)

Regulatorische Informationen

Regulatory InformationChemical: Phenol, 4-butyl-

Sicherheitsdaten

wgk: WGK 3
tsca: TSCA listed
ridadr: 3145
hs_code: 2907199090
RTECS-Nr.: SJ8922500
risk_code: 20/21/22-36/37/38-41-34-22
hazard_code: C,Xn
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites4-n-Butylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-butylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.