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| CAS No.: | 78-70-6 |
|---|---|
| Name: | Linalool |
| Article Data: | 134 |
| Molecular Structure: | |
|
|
|
| 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: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 2.66980 |
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3-(tert-butyldimethylsiloxy)-3,7-dimethyl-1,6-octadiene
- 78-70-6
3,7-dimethylocta-1,6-dien-3-ol
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 catalyst | 95% |
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With dihydrogen peroxide | 90% |
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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: 
Xi,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