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78-70-6

Basic Information
CAS No.: 78-70-6
Name: Linalool
Article Data: 134
Cas Database
Molecular Structure:
Molecular Structure of 78-70-6 (Linalool)
Formula: C10H18O
Molecular Weight: 154.252
Synonyms: 2,6-Dimethyl-2,7-octadien-6-ol;2-Methyl-1-prenyl-3-buten-2-ol;3,7-Dimethyl-1,6-octadien-3-ol;3,7-Dimethyl-1,6-octadiene-3-ol;3,7-Dimethyl-3-hydroxy-1,6-octadiene;L 260-2;Linalol;
EINECS: 201-134-4
Density: 0.859 g/cm3
Melting Point: 25°C
Boiling Point: 198.5 °C at 760 mmHg
Flash Point: 84.9 °C
Solubility: 1.45 g/L (25 °C) in water
Appearance: liquid
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 26-36
Transport Information: N/A
PSA: 20.23000
LogP: 2.66980
Synthetic route
89155-68-0

3-(tert-butyldimethylsiloxy)-3,7-dimethyl-1,6-octadiene

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With iodine In methanol microwave irradiation;100%
With P(MeNCH2CH2)3N In dimethyl sulfoxide at 80℃; for 36h; desilylation;81%
59632-77-8

<(dimethyl-1,5 ethyliden-1 hexen-4 yl-1)oxy> trimethyl silane

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With iodine In methanol microwave irradiation;100%
29171-20-8

3,7-dimethyloct-6-en-1-yn-3-ol

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With hydrogen; PdAu in polystyrene-block-poly-4-vinylpyridine micelles In toluene at 90℃; under 760 Torr; for 0.316667h;99.8%
With hydrogen In toluene at 20℃; under 38002.6 Torr; for 12h; Autoclave; chemoselective reaction;99%
With quinoline; oct-1-ene; hydrogen; Lindlar's catalyst95%
86361-07-1

(bicyclo<2.2.1>heptene-5 yle-2)-dimethyl-1,5 hexene-4 ol-1

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
at 550℃; under 0.01 Torr;98%
110-93-0

6-Methyl-hept-5-en-2-on

3536-96-7

vinylmagnesium chloride

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With zinc(II) chloride In tetrahydrofuran at 20℃; for 4h; Reagent/catalyst; Solvent; Inert atmosphere; Cooling with ice;96.3%
With tetrahydrofuran
110-93-0

6-Methyl-hept-5-en-2-on

1826-67-1

vinyl magnesium bromide

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With zinc(II) chloride In tetrahydrofuran at 20℃; for 5h; Reagent/catalyst; Solvent; Inert atmosphere; Cooling with ice;95.2%
With tetrahydrofuran; diethyl ether
In tetrahydrofuran at -78℃; Addition;
624-15-7

geraniol

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With vanadia; triethylamine at 110 - 140℃; under 45.0045 Torr; for 48h; Temperature; Pressure; Reagent/catalyst;94.5%
38844-76-7, 120414-17-7, 120414-18-8

2-[(1-ethenyl-1,5-dimethyl-4-hexen-1-yl)oxy]tetrahydro-2H-pyran

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
bis(trimethylsilyl)sulphate In methanol; 1,2-dichloro-ethane for 0.333333h; Ambient temperature;94%
With bismuth(lll) trifluoromethanesulfonate In methanol; N,N-dimethyl-formamide at 110℃; for 22h;79%
126-64-7

linalyl benzoate

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With sodium hydroxide In methanol; dichloromethane at 30℃; for 5.5h; Solvent;93%
350048-99-6

Z-1-(phenylseleno)-3,7-dimethylocta-2,6-diene

78-70-6

3,7-dimethylocta-1,6-dien-3-ol

Conditions
ConditionsYield
With dihydrogen peroxide90%
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    78-70-6

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Chemistry

IUPAC Name: 3,7-Dimethylocta-1,6-dien-3-ol
Synonyms of Linalool (CAS NO.78-70-6): (+-)-Linalool ; 1,6-Octadien-3-ol, 3,7-dimethyl- ; 2,6-Dimethylocta-2,7-dien-6-ol ; 3,7-Dimethylocta-1,6-dien-3-ol  ; allo-Ocimenol
CAS NO: 78-70-6
Molecular Formula: C10H18O
Molecular Weight: 154.25
Molecular Structure:
EINECS: 201-134-4
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 20.23 Å2
Index of Refraction: 1.463
Molar Refractivity: 49.5 cm3
Molar Volume: 179.6 cm3
Surface Tension: 28.2 dyne/cm
Density: 0.858 g/cm3
Flash Point: 84.9 °C
Enthalpy of Vaporization: 50.58 kJ/mol
Boiling Point: 198.5 °C at 760 mmHg
Vapour Pressure: 0.0905 mmHg at 25°C 
Water Solubility: 1.45 g/L (25 °C)
Appearance: liquid
Stability: Stable. Incompatible with strong oxidizing agents. Combustible. 
Product Categories: Acyclic Monoterpenes;Biochemistry;Terpenes;alcohol Flavor

Uses

 Linalool (CAS NO.78-70-6) is used as a scent in proportion of 60-80% of perfumed hygiene products and cleaning agents such as soaps, detergents, shampoos, lotions and so on. Besides, it is also used as a chemical intermediate. Additionally, linalool is usually used by pest professionals as a flea and cockroach insecticide.

Production

Biosynthesis of Linalool (CAS NO.78-70-6):
 Linalool is produced from isopentenyl pyrophosphate via the universal isoprenoid intermediate geranyl pyrophosphate, through a class of membrane-bound enzymes named monoterpene synthases.

Toxicity Data With Reference

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: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

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

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
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: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

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.

Safety Profile

Safety Information about Linalool (CAS NO.78-70-6):
Hazard Codes: IrritantXi,Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38: Irritating to eyes, respiratory system and skin. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 1
RTECS: RG5775000
HS Code: 29052210