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57706-88-4

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Basic Information
CAS No.: 57706-88-4
Name: TETRAHYDROLINALOOL
Article Data: 53
Molecular Structure:
Molecular Structure of 57706-88-4 (TETRAHYDROLINALOOL)
Formula: C10H22O
Molecular Weight: 158.28100
Synonyms: 3-Octanol, 3,7-dimethyl-, (±)-;
Density: 0.826g/cm3
Melting Point: 31.5°C
Boiling Point: 194.5oC at 760mmHg
Flash Point: 76.1oC
Hazard Symbols: Xi
PSA: 20.23000
LogP: 2.97370
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Hazard Codes of Tetrahydrolinalool (CAS NO.57706-88-4): IrritantXi
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.

Specification

 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 .