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Substance Name: Apiole
RN: 523-80-8
InChIKey: QQRSPHJOOXUALR-UHFFFAOYSA-N

Note

  • Crystalline essential oil isolated directly from commercial oil of parsley.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation data
  • Natural Product

Molecular Formula

  • C12-H14-O4

Molecular Weight

  • 222.239
 

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Names and Synonyms

Results Name

  • Apiole

Name of Substance

  • Apiole
  • Apiole (parsley)

Synonyms

  • 1-Allyl-2,5-dimethoxy-3,4-methylenedioxybenzene
  • 5-19-03-00307 (Beilstein Handbook Reference)
  • 5-Allyl-4,7-dimethoxy-1,3-benzodioxol
  • AI3-14843
  • Apiol
  • Apiole
  • Apioline
  • BRN 0195747
  • EINECS 208-349-2
  • NSC 9070
  • Parsley apiol
  • Parsley apiole
  • Parsley camphor
  • Petersiliencampher
  • UNII-QQ67504PXO

Systematic Names

  • 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-
  • 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-
  • 5-Allyl-4,7-dimethoxy-1,3-benzodioxole
  • Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-

Registry Numbers

CAS Registry Number

  • 523-80-8

Other Registry Number

  • 83382-66-5

System Generated Number

  • 0000523808

Structure Descriptors

InChI

1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3

InChIKey

QQRSPHJOOXUALR-UHFFFAOYSA-N

Smiles

c12c(c(cc(c1OC)CC=C)OC)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 1515mg/kg (1515mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 342, 1895.
mouse LDLo subcutaneous 1gm/kg (1000mg/kg)   Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 14, Pg. 291, 1939.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29.5 deg C   EXP
Boiling Point 294 deg C   EXP
log P (octanol-water) 3.610 (none)   EST
Atmospheric OH Rate Constant 2.31E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.