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Substance Name: Butyl phenyl ether
RN: 1126-79-0
UNII: H804A5426K
InChIKey: YFNONBGXNFCTMM-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
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Names and Synonyms

Name of Substance

  • Butyl phenyl ether

Synonyms

  • 4-06-00-00558 (Beilstein Handbook Reference)
  • AI3-00446
  • BRN 1635559
  • Butoxybenzene
  • Butoxyphenyl
  • Butyl phenyl ether
  • EINECS 214-426-1
  • n-Butyl phenyl ether
  • NSC 8467
  • Phenyl butyl ether
  • UNII-H804A5426K

Systematic Names

  • Benzene, butoxy-
  • Ether, butyl phenyl
  • n-Butyl phenyl ether

Registry Numbers

CAS Registry Number

  • 1126-79-0

FDA UNII

  • H804A5426K

System Generated Number

  • 0001126790

Structure Descriptors

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

c1(OCCCC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.94E+01 deg C   EXP
Boiling Point 210 deg C   EXP
log P (octanol-water) 3.550 (none)   EST
Water Solubility 70.8 mg/L 25 EST
Henry's Law Constant 7.46E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.38E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.