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Substance Name: Rose oxide
RN: 16409-43-1
UNII: 4O51437J50
InChIKey: CZCBTSFUTPZVKJ-UHFFFAOYSA-N

Note

  • Isolated from Heracleum moellendorffii.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.251
 
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Names and Synonyms

Name of Substance

  • Rose oxide

Synonyms

  • 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-
  • 2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-
  • 5-17-01-00256 (Beilstein Handbook Reference)
  • BRN 0111348
  • EINECS 240-457-5
  • FEMA No. 3236
  • Pyran, 2-(2-methyl-1-propenyl)-4-methyltetrahydro-
  • Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-
  • Rose oxide
  • Rosenoxide
  • Rosoxide
  • Tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
  • Tetrahydro-4-methyl-2-(2-methylpropen-1-yl)pyran
  • Tetrahydro-4-methyl-2-(2-methylpropenyl)-2H-pyran
  • UNII-4O51437J50

Systematic Names

  • 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
  • 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-
  • 2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)- (8CI)
  • Pyran, tetrahydro-2-(2-methyl-1-propenyl)-4-methyl-
  • Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)- (6CI,7CI)
  • Tetrahydro-4-methyl-2-(2-methylprop-1-enyl)pyran

Superlist Name

  • Rose oxide

Registry Numbers

CAS Registry Number

  • 16409-43-1

FDA UNII

  • 4O51437J50

System Generated Number

  • 0016409431

Structure Descriptors

InChI

1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3

InChIKey

CZCBTSFUTPZVKJ-UHFFFAOYSA-N

Smiles

C1[C@@H](OCC[C@@H]1C)\C=C(/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4300mg/kg (4300mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 855, 1976.