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Substance Name: Prehnitene
RN: 488-23-3
UNII: 96WT7D2WXJ
InChIKey: UOHMMEJUHBCKEE-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.221
 
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Names and Synonyms

Name of Substance

  • Prehnitene

Synonyms

  • 1,2,3,4-Tetramethylbenzene
  • CCRIS 8659
  • EINECS 207-673-1
  • NSC 93932
  • Prehnitene
  • Prehnitol
  • UNII-96WT7D2WXJ

Systematic Names

  • 1,2,3,4-Tetramethylbenzene
  • Benzene, 1,2,3,4-tetramethyl-

Registry Numbers

CAS Registry Number

  • 488-23-3

FDA UNII

  • 96WT7D2WXJ

System Generated Number

  • 0000488233

Structure Descriptors

InChI

1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3

InChIKey

UOHMMEJUHBCKEE-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 6408mg/kg (6408mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Drug and Chemical Toxicology. Vol. 1, Pg. 219, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.20E+00 deg C   EXP
Boiling Point 205 deg C   EXP
log P (octanol-water) 4 (none)   EXP
Water Solubility 33.9 mg/L 25 EST
Henry's Law Constant 7.99E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.05E-11 cm3/molecule-sec 25 EST

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