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Substance Name: 2,6-Di-sec-butylphenol
RN: 5510-99-6
UNII: 862GFQ832E
InChIKey: FHTGJZOULSYEOB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.327
 
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Names and Synonyms

Name of Substance

  • 2,6-Di-sec-butylphenol

Synonyms

  • 2,6-Di-sec-butylfenol
  • 2,6-Di-sec-butylfenol [Czech]
  • 2,6-Di-sec-butylphenol
  • 4-06-00-03490 (Beilstein Handbook Reference)
  • BRN 2258305
  • EC 226-854-6
  • EINECS 226-854-6
  • UNII-862GFQ832E

Systematic Names

  • Di-sec-butylphenol, mixed isomers
  • Phenol, 2,6-bis(1-methylpropyl)-
  • Phenol, 2,6-di-sec-butyl-

Registry Numbers

CAS Registry Number

  • 5510-99-6

FDA UNII

  • 862GFQ832E

System Generated Number

  • 0005510996

Structure Descriptors

InChI

1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3

InChIKey

FHTGJZOULSYEOB-UHFFFAOYSA-N

Smiles

c1(c(c([C@@H](CC)C)ccc1)O)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ANALGESIA
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
rabbit LDLo intravenous 10mg/kg (10mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SLEEP
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.20E+01 deg C   EXP
Boiling Point 257.5 deg C   EXP
log P (octanol-water) 4.36 (none)   EXP
Water Solubility 1.8 mg/L 25 EXP
Vapor Pressure 3.12E-04 mm Hg 25 EST
Henry's Law Constant 3.74E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.61E-11 cm3/molecule-sec 25 EST

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