1-Hexanol,5-methyl-2-(1-methylethyl)- supplier

Name
TETRAHYDROLAVANDULOL
EINECS 218-119-3
CAS No. 2051-33-4
Article Data21
CAS DataBase
Density 0.823 g/cm³
Solubility
Melting Point -1.53°C (estimate)
Formula C₁₀H₂₂O
Boiling Point 211 °C at 760 mmHg
Molecular Weight 158.284
Flash Point 79.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Hexanol,2-isopropyl-5-methyl- (6CI,7CI,8CI);(?à)-Tetrahydrolavandulol;2-Isopropyl-5-methyl-1-hexanol;5-Methyl-2-(1-methylethyl)-1-hexanol;NSC 65622;
PSA 20.23000
LogP 2.68710

1-Hexanol,5-methyl-2-(1-methylethyl)- Specification

The 1-Hexanol,5-methyl-2-(1-methylethyl)-, with the CAS registry number 2051-33-4, is also known as 2-Isopropyl-5-methyl-1-hexanol. It belongs to the product categories of Acyclic Monoterpenes; Biochemistry; Terpenes. Its EINECS registry number is 218-119-3. This chemical's molecular formula is C₁₀H₂₂O and molecular weight is 158.28. What's more, its systematic name is called 5-Methyl-2-(propan-2-yl)hexan-1-ol. It should be kept in a cold and dry place.

Physical properties about 1-Hexanol,5-methyl-2-(1-methylethyl)- are: (1) ACD/LogP: 3.51; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.51; (4) ACD/LogD (pH 7.4): 3.51; (5) ACD/BCF (pH 5.5): 274.6; (6) ACD/BCF (pH 7.4): 274.6; (7) ACD/KOC (pH 5.5): 1937.42; (8) ACD/KOC (pH 7.4): 1937.42; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 9.23 Å²; (13) Index of Refraction: 1.431; (14) Molar Refractivity: 49.78 cm³; (15) Molar Volume: 192.2 cm³; (16) Surface Tension: 27.1 dyne/cm; (17) Density: 0.823 g/cm³; (18)Flash Point: 79.9 °C; (19) Enthalpy of Vaporization: 52.03 kJ/mol; (20) Boiling Point: 211 °C at 760 mmHg; (21) Vapour Pressure: 0.0423 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(CCC(C)C)C(C)C
(2) InChI: InChI=1/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3
(3) InChIKey: SFIQHFBITUEIBP-UHFFFAOYAC

Product Name

TETRAHYDROLAVANDULOL

1-Hexanol,5-methyl-2-(1-methylethyl)- Specification

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