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Molecular Formula: C10H22O
Molar mass: 158.28 g/mol
EINECS: 201-133-9
Density: 0.826 g/cm3
Flash Point: 76.1 °C
Index of Refraction: 1.433
Boiling Point: 194.5 °C at 760 mmHg
Vapour Pressure: 0.115 mmHg at 25°C
Structure of Tetrahydrolinalool (CAS NO.57706-88-4):
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 1
IUPAC Name of Tetrahydrolinalool (CAS NO.57706-88-4): 3,7-Dimethyloctan-3-ol
Canonical SMILES: CCC(C)(CCCC(C)C)O
InChI: InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChIKey: DLHQZZUEERVIGQ-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 4500mg/kg (4500mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990. | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 909, 1979. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 909, 1979. |
Hazard Codes of Tetrahydrolinalool (CAS NO.57706-88-4): Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
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.
Tetrahydrolinalool ,its cas register number is 57706-88-4. It also can be called 2,6-Dimethyl-6-octanol ; 3-Octanol, 3,7-dimethyl- ; 3,7-Dimethyl-3-octanol and .+/-.-3,7-Dimethyl-3-octanol .