Skip Navigation
ChemIDplus LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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.