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CAS No.: | 2051-33-4 |
---|---|
Name: | TETRAHYDROLAVANDULOL |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C10H22O |
Molecular Weight: | 158.284 |
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; |
EINECS: | 218-119-3 |
Density: | 0.823 g/cm3 |
Melting Point: | -1.53°C (estimate) |
Boiling Point: | 211 °C at 760 mmHg |
Flash Point: | 79.9 °C |
PSA: | 20.23000 |
LogP: | 2.68710 |
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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