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18479-57-7

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Basic Information
CAS No.: 18479-57-7
Name: TETRAHYDROMYRCENOL
Article Data: 20
Molecular Structure:
Molecular Structure of 18479-57-7 (TETRAHYDROMYRCENOL)
Formula: C10H22O
Molecular Weight: 158.284
Synonyms: 2,6-Dimethyl-2-octanol;Tetrahydromyrcenol
EINECS: 242-361-9
Density: 0.826 g/cm3
Melting Point: -1.53°C (estimate)
Boiling Point: 194.5 °C at 760 mmHg
Flash Point: 82.5 °C
Solubility: Soluble in organics solvents, insoluble in water.
Appearance: Clear colourless to slightly yellowish liquid.
Risk Codes: 52/53
Safety: 61
PSA: 20.23000
LogP: 2.97370
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    2,6-dimethyloctan-2-ol

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  • TETRAHYDROMYRCENOL

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  • TETRAHYDROMYRCENOL

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    TETRAHYDROMYRCENOL

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Chemistry

Structure of 2-Octanol, 2,6-dimethyl- (CAS NO.18479-57-7):

IUPAC Name: 2,6-Dimethyloctan-2-ol
Molecular Formula: C10H22O
Molecular Weight 158.28108 g/mol  
Density: 0.826 g/cm3 
Boiling Point: 194.5 °C at 760 mmHg 
Flash Point: 82.5 °C
Index of Refraction: 1.433
Molar Refractivity: 49.83 cm3
Molar Volume: 191.5 cm3
Polarizability: 19.75×10-24 cm3
Surface Tension: 27.6 dyne/cm
Enthalpy of Vaporization: 50.12 kJ/mol
Vapour Pressure: 0.115 mmHg at 25 °C
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 5
Exact Mass: 158.167065
MonoIsotopic Mass: 158.167065
Topological Polar Surface Area: 20.2
Heavy Atom Count: 11
Complexity: 97
Canonical SMILES: CCC(C)CCCC(C)(C)O
InChI: InChI=1S/C10H22O/c1-5-9(2)7-6-8-10(3,4)11/h9,11H,5-8H2,1-4H3
InChIKey: WRFXXJKURVTLSY-UHFFFAOYSA-N
EINECS: 242-361-9
Product Categories of 2-Octanol, 2,6-dimethyl- (CAS NO.18479-57-7): Aroma Chemicals; Alphabetical Listings; Flavors and Fragrances; Q-Z

Safety Profile

Risk Statements: 52/53
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
WGK Germany: 2

Specification

 2-Octanol, 2,6-dimethyl- (CAS NO.18479-57-7) is also named as 2,6-Dimethyl-2-octanol ; AI3-24902 ; Tetrahydromyrcenol .