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Substance Name: Citronellal
RN: 106-23-0
UNII: QB99VZZ7GZ
InChIKey: NEHNMFOYXAPHSD-UHFFFAOYSA-N

Note

  • Aldehyde of citronellol; found in citronella oil.

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.2512
 
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Names and Synonyms

Name of Substance

  • 3,7-Dimethyl-6-octenal
  • 6-Octenal, 3,7-dimethyl-
  • Citronellal

Synonyms

  • 2,3-Dihydrocitral
  • 3,7-Dimethyl-6-octen-1-al
  • 3,7-Dimethyl-6-octenal
  • 6-Octenal, 3,7-dimethyl-
  • AI3-00203
  • CCRIS 8421
  • Citronella
  • Citronella (natural)
  • Citronellal
  • Citronellel
  • CITRONELLOL,(D)
  • D-Rhodinal
  • EC 203-376-6
  • EINECS 203-376-6
  • FEMA No. 2307
  • HSDB 594
  • NSC 46106
  • Rhodinal
  • Rhodinal (VAN)
  • UNII-QB99VZZ7GZ

Systematic Names

  • 6-Octenal, 3,7-dimethyl-
  • Citronellal
  • Poly((1,3a,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo(3,4-c)pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene)

Superlist Names

  • 6-Octenal, 3,7-dimethyl-
  • Citronellal

Registry Numbers

CAS Registry Number

  • 106-23-0

FDA UNII

  • QB99VZZ7GZ

Other Registry Number

  • 26489-02-1

System Generated Number

  • 0000106230

Structure Descriptors

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3

InChIKey

NEHNMFOYXAPHSD-UHFFFAOYSA-N

Smiles

CC(CCC=C(C)C)CC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 National Technical Information Service. Vol. OTS0535480,
rabbit LD50 skin > 2500mg/kg (2500mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 755, 1975.
rat LD50 oral 2420mg/kg (2420mg/kg)   National Technical Information Service. Vol. OTS0557726,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.530 (none)   EST
Water Solubility 70.2 mg/L 25 EST
Vapor Pressure 0.280 mm Hg 25 EST
Henry's Law Constant 2.62E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-10 cm3/molecule-sec 25 EST

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