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Substance Name: 4-(1,1,3,3-Tetramethylbutyl)phenol
RN: 140-66-9
UNII: IOY9FVU3J3
InChIKey: ISAVYTVYFVQUDY-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant
  • Surface-Active Agents
  • Tumor Data

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.3268
 
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Names and Synonyms

Name of Substance

  • 4-(1,1,3,3-Tetramethylbutyl)phenol
  • 4-tert-Octylphenol

Synonyms

  • 4-(1,1,3,3-Tetramethylbutyl)phenol
  • 4-06-00-03484 (Beilstein Handbook Reference)
  • 4-t-Octylphenol
  • 4-tert-Octylphenol
  • AI3-10011
  • BRN 0513992
  • CCRIS 8947
  • EC 205-426-2
  • EINECS 205-426-2
  • HSDB 5411
  • NSC 5427
  • p-(1',1',3',3'-Tetramethylbutyl)fenol
  • p-(1,1,3,3-Tetramethylbutyl)phenol
  • p-Octylphenol (VAN)
  • p-terc.Oktylfenol
  • p-terc.Oktylfenol [Czech]
  • p-tert-Octylphenol
  • para-tert-Octylphenol
  • Phenol, 4-(1,1,3,3-tetramethylbutyl)-
  • Phenol, p-(1,1,3,3-tetramethylbutyl)-
  • Phenol, p-(tert-octyl)-
  • UNII-IOY9FVU3J3

Systematic Names

  • 4-(1,1,3,3-Tetramethylbutyl)phenol
  • Phenol, 4-(1,1,3,3-tetramethylbutyl)-
  • Phenol, p-(1,1,3,3-tetramethylbutyl)-

Superlist Names

  • 4-(1,1,3,3-Tetramethylbutyl)phenol
  • 4-tert-Octylphenol
  • Phenol, 4-(1,1,3,3-tetramethylbutyl)-
  • Phenol, p-(1,1,3,3-tetramethylbutyl)-

Registry Numbers

CAS Registry Number

  • 140-66-9

FDA UNII

  • IOY9FVU3J3

Other Registry Numbers

  • 124765-79-3
  • 37769-53-2
  • 85771-77-3

System Generated Number

  • 0000140669

Structure Descriptors

InChI

1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

InChIKey

ISAVYTVYFVQUDY-UHFFFAOYSA-N

Smiles

CC(C)(C)CC(C)(C)c1ccc(cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3210mg/kg (3210mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Kauchuk i Rezina. Crude and Vulcanized Rubber. Vol. 26(9), Pg. 28, 1967.
rabbit LD50 skin 1880mg/kg (1880mg/kg)   National Technical Information Service. Vol. OTS0527972,
rat LD50 oral 4600mg/kg (4600mg/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Kauchuk i Rezina. Crude and Vulcanized Rubber. Vol. 26(9), Pg. 28, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84.5 deg C   EXP
log P (octanol-water) 5.280 (none)   EST
Water Solubility 5.000 mg/L 25 EST
Henry's Law Constant 6.89E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.24E-11 cm3/molecule-sec 25 EST

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