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Substance Name: 2-Isopropylnaphthalene
RN: 2027-17-0
UNII: 4DTR9UN8SR
InChIKey: TVYVQNHYIHAJTD-UHFFFAOYSA-N

Molecular Formula

  • C13-H14

Molecular Weight

  • 170.254
 
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Names and Synonyms

Name of Substance

  • 2-Isopropylnaphthalene

Synonyms

  • 2-(1-Methylethyl)naphthalene
  • 2-Isopropylnaphthalene
  • 4-05-00-01723 (Beilstein Handbook Reference)
  • beta-Isopropylnaphthalene
  • BRN 1099059
  • EINECS 217-976-0
  • HSDB 5863
  • Naphthalene, 2-(1-methylethyl)-
  • Naphthalene, 2-isopropyl-
  • NSC 166466
  • UNII-4DTR9UN8SR

Systematic Names

  • 2-Isopropylnaphthalene
  • Naphthalene, 2-(1-methylethyl)-
  • Naphthalene, 2-isopropyl-

Registry Numbers

CAS Registry Number

  • 2027-17-0

FDA UNII

  • 4DTR9UN8SR

System Generated Number

  • 0002027170

Structure Descriptors

InChI

1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3

InChIKey

TVYVQNHYIHAJTD-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C(C)C)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5300mg/kg (5300mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 50, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 14.5 deg C   EXP
Boiling Point 268.2 deg C   EXP
log P (octanol-water) 4.630 (none)   EST
Water Solubility 6.890 mg/L 25 EST
Vapor Pressure 0.00518 mm Hg 25 EXP
Henry's Law Constant 8.48E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.35E-11 cm3/molecule-sec 25 EST

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