Butyl phenyl ether

HCID 14311CAS 1126-79-0

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Basic information

Standard SMILES: CCCCOc1ccccc1
InChIKey: YFNONBGXNFCTMM-UHFFFAOYSA-N
Molecular formula: C10H14O
Average molar mass: 150.221 g/mol
Monoisotopic mass: 150.10446507

Names & identifiers

Preferred name: Butyl phenyl ether
IUPAC: Butoxybenzene
English name: Butoxybenzene
Molecular formula: C10H14O
Molecular weight: 150.22

Names & synonyms

BUTYL PHENYL ETHERbutoxyphenylBenzene, butoxy-N-BUTYL PHENYL ETHERbutoxy-benzenBUTOXYBENZENE1-PhenoxybutaneN-BUTOXYBENZENEbutyl phenolateButyloxybenzene

Database identifiers

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

Properties

Physicochemical properties

Melting point: 19 °C · −19 °C(lit.)
Boiling point: 210.3 °C · 210.3 °C(lit.)
Density: 0.935 g/mL · 0.935 g/mL at 25 °C(lit.)
vapor pressure: 84 Pa · 84Pa at 25℃
refractive index: 20 · n20/D 1.497(lit.)
Flash point: 180 °F · 180 °F
storage temp.: Store at room temperature
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 0.935 · 0.935
Odor: 10 % · at 10.00 % in dipropylene glycol. anise licorice
Odor Type: licorice
Water Solubility: 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 DataBase Reference: 1126 · 1126-79-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 804 A5426K · H804A5426K
NIST Chemistry Reference: Butoxybenzene(1126-79-0)
EPA Substance Registry System: Benzene, butoxy- (1126-79-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313
Hazard Codes: N
Risk Statements: 51 · 51/53
Safety Statements: 24 · 24/25-61
RIDADR: 3082 · UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany: 2 · 2
RTECS: 5300000 · KN5300000
TSCA: TSCA listed
HazardClass: 9 · 9
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 · Eye Irrit. 2
Toxicity: 50 · 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.
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

wgk: 2
tsca: TSCA listed
rtecs: KN5300000
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
hs_code: 29093090
Toxicity: 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.
risk_code: 51/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: N
safety_code: 24/25-61
hazard_class: 9
Storage Class: 10 - Combustible liquids
Hazard statements: H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2
Precautionary statements: P264-P280-P305+P351+P338-P337+P313

Chemistry & industry

Applications

UsesButyl 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.