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Substance Name: Citronellol
RN: 106-22-9
UNII: 565OK72VNF
InChIKey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N

Note

  • Alcohol form of citronellal; found in rose oil.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H20-O

Molecular Weight

  • 156.267
 
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Names and Synonyms

Name of Substance

  • 3,7-Dimethyl-6-octen-1-ol
  • 6-Octen-1-ol, 3,7-dimethyl-
  • Citronellol

Synonyms

  • (+-)-beta-Citronellol
  • (+-)-Citronellol
  • 2,3-Dihydrogeraniol
  • 2,6-Dimethyl-2-octen-8-ol
  • 3,7-Dimethyl-6-octen-1-ol
  • 4-01-00-02188 (Beilstein Handbook Reference)
  • AI3-25080
  • beta-Citronellol
  • BRN 1721507
  • CCRIS 7452
  • Cephrol
  • Citronellol
  • Citronellol (ex. Java citronella oil) (natural)
  • Citronellol (natural)
  • Citronellol, dl-
  • DL-Citronellol
  • EC 203-375-0
  • EINECS 203-375-0
  • EINECS 247-737-6
  • Elenol
  • FEMA No. 2309
  • HSDB 6805
  • NSC 8779
  • Rhodinol
  • Rodinol
  • UNII-565OK72VNF

Systematic Names

  • 3,7-Dimethyl-6-octen-1-ol
  • 6-Octen-1-ol, 3,7-dimethyl-
  • Citronellol

Superlist Names

  • 6-Octen-1-ol, 3,7-dimethyl-
  • Citronellol

Registry Numbers

CAS Registry Number

  • 106-22-9

FDA UNII

  • 565OK72VNF

Other Registry Numbers

  • 1335-43-9
  • 26489-01-0

System Generated Number

  • 0000106229

Structure Descriptors

InChI

1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3

InChIKey

QMVPMAAFGQKVCJ-UHFFFAOYSA-N

Smiles

C(CC/C=C(/C)C)(CCO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 4gm/kg (4000mg/kg)   Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
mouse LD50 subcutaneous 880mg/kg (880mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952.
rabbit LD50 skin 2650mg/kg (2650mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 757, 1975.
rat LD50 oral 3450mg/kg (3450mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 757, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 224.5 deg C   EXP
log P (octanol-water) 3.91 (none)   EXP
Water Solubility 212 mg/L 25 EST
Vapor Pressure 0.013 mm Hg 25 EST
Henry's Law Constant 5.68E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.84E-11 cm3/molecule-sec 25 EST

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