Basic information
- Name:
Linalool
- CAS No.:
78-70-6
- Molecular Structure:
- Formula:
- C10H18O
- Molecular Weight:
- 154.25
- Deleted CAS:
- 22564-99-4|11024-20-7
- 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
- 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 Description:
- 26-36 Details
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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