Butyl phenyl ether (HCID 14311)

Namen und Bezeichner

Bevorzugter Name: Butyl phenyl ether
IUPAC: butoxybenzene
Lokaler Name: n-Butylphenylether
Englischer Name: Butoxybenzene
Summenformel: C10H14O
Molmasse: 150.22

Namen und Synonyme

Butoxybenzene1126-79-0BUTYL PHENYL ETHERn-Butyl phenyl etherBenzene, butoxy-n-ButoxybenzeneButoxyphenyl1-PhenoxybutaneNSC 8467EINECS 214-426-1BRN 1635559BUTYLOXYBENZENE

Weitere Namen anzeigen

butoxy-benzenbutyl phenolate

phenyl n-butyl etherUNII-H804A5426KAI3-00446NSC-8467H804A5426KN-BUTYL-PHENYL-ETHERDTXSID00221494-06-00-00558 (Beilstein Handbook Reference)

Datenbank-Bezeichner

CAS: 1126-79-0
PubChem CID: 14311
DTXSID: DTXSID0022149
UNII: H804A5426K
EC Number: 214-426-1
Nikkaji: J43.445K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 84,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 19 °C · −19 °C(lit.)
Siedepunkt: 210.3 °C · 210.3 °C(lit.)
Dichte: 0.935 g/mL · 0.935 g/mL at 25 °C(lit.)
Dampfdruck: 84 Pa · 84Pa at 25℃
Brechungsindex: 20 · n20/D 1.497(lit.)
Flammpunkt: 180 °F · 180 °F
storage temp.: Store at room temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 0.935 · 0.935
Geruch (Odor): 10 % · at 10.00 % in dipropylene glycol. anise licorice
Geruchsart: licorice
Wasserlöslichkeit: 36.6 mg/L · 36.6mg/L at 20℃
BRN: 1635559 · 1635559
Dielectric constant: 3.73 · 3.73
InChI: 1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey: YFNONBGXNFCTMM-UHFFFAOYSA-N
SMILES: CCCCOc1ccccc1
LogP: 4.26 at · 4.26 at 30℃
CAS Datenbank: 1126 · 1126-79-0(CAS DataBase Reference)
NIST chemische Informationen: Butoxybenzene(1126-79-0)
EPA chemische Informationen: Benzene, butoxy- (1126-79-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzene, butoxy-

Benzene, butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, butoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: N-butyl phenyl ether (EC: 214-426-1)

Peroxide Forming Chemical · 3 Einträge

n-Butyl phenyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
hs_code: 29093090
RTECS-Nr.: KN5300000
risk_code: 51/53
Toxizität: mouse,LD50,oral,3200mg/kg (3200mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: EXCITEMENTBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.
hazard_code: N
safety_code: 24/25-61
hazard_class: 9
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesFuel agents

General Manufacturing Information · 2 Einträge

All other Petroleum and Coal Products Manufacturing

Benzene, butoxy-: ACTIVE

Anwendungen

VerwendenButyl phenyl ether was used as model compound to study the transformation of human pharmaceuticals detected in water during chlorine disinfection. It was used in the synthesis of amino acids with aryl-keto function in their side-chains.