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479547-57-4

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Basic Information
CAS No.: 479547-57-4
Name: 2,4,8-TRIMETHYL-3,7-NONADIEN-2-OL
Molecular Structure:
Molecular Structure of 479547-57-4 (2,4,8-TRIMETHYL-3,7-NONADIEN-2-OL)
Formula: C12H22O
Molecular Weight: 182.17
Synonyms: 2,4,8-Trimethylnona-3,7-dien-2-ol;
Density: 0.863 g/cm3
Boiling Point: 253 °C at 760 mmHg
Flash Point: 90.4 °C
PSA: 20.23000
LogP: 3.45000
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Specification

The 3, 7-Nonadien-2-ol, 2, 4, 8-trimethyl-, with the CAS registry number 479547-57-4, is also known as 2, 4, 8-Trimethyl-3, 7-nonadien-2-ol. It belongs to the product category of Alcohol Flavor. This chemical's molecular formula is C12H22O and molecular weight is 182.17. What's more, its systematic name is 2, 4, 8-Trimethylnona-3, 7-dien-2-ol.

Physical properties about 3, 7-Nonadien-2-ol, 2, 4, 8-trimethyl- are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 3.98; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 20.23 Å2; (9)Index of Refraction: 1.47; (10)Molar Refractivity: 58.94 cm3; (11)Molar Volume: 211 cm3; (12)Polarizability: 23.36×10-24 cm3; (13)Surface Tension: 28.6 dyne/cm; (14)Density: 0.863 g/cm3; (15)Flash Point: 90.4 °C; (16)Enthalpy of Vaporization: 56.97 kJ/mol; (17)Boiling Point: 253 °C at 760 mmHg; (18)Vapour Pressure: 0.0029 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C\C(C)=C\CCC(C)=CC(C)(C)O
(2) InChI: InChI=1/C12H22O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,9,13H,6,8H2,1-5H3
(3) InChIKey: BPIALUCKEZWHIF-UHFFFAOYAB