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Substance Name: Benzeneethanol, 4-(1-methylethyl)-
RN: 10099-57-7
InChIKey: MUGORNQRYUKUGN-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant

Molecular Formula

  • C11-H16-O

Molecular Weight

  • 164.246
 
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Names and Synonyms

Synonyms

  • 4-06-00-03405 (Beilstein Handbook Reference)
  • AI3-01774
  • BRN 2080890
  • EINECS 233-235-4
  • p-Isopropylphenylethyl alcohol

Systematic Names

  • Benzeneethanol, 4-(1-methylethyl)-
  • p-Isopropylphenethyl alcohol
  • Phenethyl alcohol, p-isopropyl-

Registry Numbers

CAS Registry Number

  • 10099-57-7

System Generated Number

  • 0010099577

Structure Descriptors

InChI

1S/C11H16O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9,12H,7-8H2,1-2H3

InChIKey

MUGORNQRYUKUGN-UHFFFAOYSA-N

Smiles

OCCc1ccc(cc1)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3900uL/kg (3.9mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 skin > 6mL/kg (6mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat LD50 oral 1800uL/kg (1.8mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.020 (none)   EST
Water Solubility 900 mg/L 35 EXP
Atmospheric OH Rate Constant 1.34E-11 cm3/molecule-sec 25 EST

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