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Substance Name: Linalool
RN: 78-70-6
UNII: D81QY6I88E
InChIKey: CDOSHBSSFJOMGT-UHFFFAOYSA-N

Classification Codes

  • Insecticide
  • Insecticides
  • Mutation Data
  • Pesticides
  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.251
 
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Names and Synonyms

Name of Substance

  • 1,6-Octadien-3-ol, 3,7-dimethyl-
  • 2,6-Dimethyl-2,7-octadien-6-ol
  • 2,7-Octadien-6-ol, 2,6-dimethyl-
  • 3,7-Dimethyl-1,6-octadien-3-ol
  • Linalool

Synonyms

  • (+-)-Linalool
  • 0-01-00-00462 (Beilstein Handbook Reference)
  • 1,6-Octadien-3-ol, 3,7-dimethyl-
  • 2,6-Dimethyl-2,7-octadiene-6-ol
  • 2,6-Dimethylocta-2,7-dien-6-ol
  • 3,7-Dimethyl-1,6-octadien-3-ol
  • 3,7-Dimethylocta-1,6-dien-3-ol
  • AI3-00942
  • Allo-ocimenol
  • beta-Linalool
  • BRN 1721488
  • Caswell No. 526A
  • CCRIS 6557
  • EC 201-134-4
  • EINECS 201-134-4
  • EINECS 245-083-6
  • EPA Pesticide Chemical Code 128838
  • FEMA No. 2635
  • FEMA Number 2635
  • HSDB 645
  • Linalool
  • Linalool (natural)
  • Linalyl alcohol
  • NSC 3789
  • p-Linalool
  • UNII-D81QY6I88E

Systematic Names

  • (1)-3,7-Dimethyl-1,6-octadien-3-ol
  • 1,6-Octadien-3-ol, 3,7-dimethyl-
  • 3,7-Dimethyl-1,6-octadien-3-ol
  • Linalool

Superlist Names

  • 1,6-Octadien-3-ol, 3,7-dimethyl-
  • Linalool
  • Linalyl alcohol

Registry Numbers

CAS Registry Number

  • 78-70-6

FDA UNII

  • D81QY6I88E

Other Registry Numbers

  • 11024-20-7
  • 22564-99-4

System Generated Number

  • 0000078706

Structure Descriptors

InChI

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

InChIKey

CDOSHBSSFJOMGT-UHFFFAOYSA-N

Smiles

CC(=CCCC(C)(O)C=C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 8gm/kg (8000mg/kg)   Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
mouse LD50 intraperitoneal 340mg/kg (340mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. Vol. 15, Pg. 149, 1973.
mouse LD50 oral 3gm/kg (3000mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 National Technical Information Service. Vol. OTS0543729,
mouse LD50 subcutaneous 1470mg/kg (1470mg/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 5610mg/kg (5610mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 827, 1975.
rat LD50 intraperitoneal 307mg/kg (307mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. Vol. 15, Pg. 149, 1973.
rat LD50 oral 2790mg/kg (2790mg/kg) BEHAVIORAL: ATAXIA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 skin 5610mg/kg (5610mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 202, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 197 deg C   EXP
log P (octanol-water) 2.97 (none)   EXP
Water Solubility 1590 mg/L 25 EXP
Vapor Pressure 0.16 mm Hg 25 EXP
Henry's Law Constant 2.15E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.60E-10 cm3/molecule-sec 23 EXP

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