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Substance Name: 1,4-Epoxy-p-menthane
RN: 470-67-7
UNII: B55JTU839B
InChIKey: RFFOTVCVTJUTAD-AOOOYVTPSA-N

Note

  • Monoterpene; flavor component of lime Citrus medica L. var acida.

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.2512
 
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Names and Synonyms

Name of Substance

  • 1,4-Cineole
  • 1,4-Epoxy-p-menthane

Synonyms

  • 1,4-Cineol
  • 1,4-Cineole
  • 1,4-Cineole (natural)
  • 1,4-Epoxy-p-menthane
  • 1-Isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane
  • 1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane
  • 5-17-01-00273 (Beilstein Handbook Reference)
  • 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- (6CI)
  • 7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-
  • BRN 0104974
  • EINECS 207-428-9
  • FEMA No. 3658
  • HSDB 5425
  • Isocineole
  • p-Cineole
  • p-Menthane, 1,4-epoxy-
  • UNII-B55JTU839B

Systematic Names

  • 1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane
  • 7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-
  • p-Menthane, 1,4-epoxy-

Superlist Names

  • 1,4-Cineole
  • 7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 470-67-7

FDA UNII

  • B55JTU839B

Other Registry Number

  • 21499-90-1

System Generated Number

  • 0000470677

Structure Descriptors

InChI

1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3/t9-,10+

InChIKey

RFFOTVCVTJUTAD-AOOOYVTPSA-N

Smiles

CC(C)[C@@]12CC[C@@](C)(CC1)O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 291, 1988.
rat LD50 oral 3100mg/kg (3100mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 291, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 1 deg C   EXP
Boiling Point 173.5 deg C   EXP
log P (octanol-water) 2.97 (none)   EXP
Water Solubility 153 mg/L 25 EST
Vapor Pressure 1.93 mm Hg 25 EXP
Henry's Law Constant 2.04E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.79E-11 cm3/molecule-sec 25 EST

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