- Tetrahydrolinalool
- Tetrahydrolinalool
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Cas Database |
| Name |
Tetrahydrolinalool |
EINECS | N/A |
| CAS No. | 57706-88-4 | Density | 0.826g/cm3 |
| PSA | 20.23000 | LogP | 2.97370 |
| Solubility | N/A | Melting Point |
31.5°C |
| Formula | C10H22O | Boiling Point | 194.5oC at 760mmHg |
| Molecular Weight | 158.28100 | Flash Point | 76.1oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Octanol, 3,7-dimethyl-, (±)-; |
Article Data | 53 |
Tetrahydrolinalool Chemical Properties
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
Tetrahydrolinalool 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. |
Tetrahydrolinalool Safety Profile
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 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 .
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