Name: 6-Hydroxy-2,6-dimethyl-2,7-octadieic acid
SKU: 28420-25-9

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Basic Information

Molecular Structure:
CAS No.:	28420-25-9
Name:	6-Hydroxy-2,6-dimethyl-2,7-octadieic acid
Article Data:	2

Formula:	C₁₀H₁₆O₃
Molecular Weight:	184.235
Synonyms:	10-Carboxylinalool;6-Hydroxy-2,6-Dimethyl-2,7-octadienoic acid;6-Hydroxy-2,6-dimethyl-2,7-octadieic acid;Linaloic acid;
Density:	1.057 g/cm³
Boiling Point:	346.5 °C at 760 mmHg
Flash Point:	177.5 °C
PSA:	57.53000
LogP:	1.73450

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Specification

The 2,7-Octadienoic acid,6-hydroxy-2,6-dimethyl-, with the CAS registry number 28420-25-9, is also known as Linaloic acid. This chemical's molecular formula is C₁₀H₁₆O₃ and molecular weight is 184.23. What's more, its systematic name is 6-Hydroxy-2,6-dimethyl-2,7-octadieic acid.

Physical properties of 2,7-Octadienoic acid,6-hydroxy-2,6-dimethyl- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 2.84; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 48.86; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 51.06 cm³; (15)Molar Volume: 174.2 cm³; (16)Polarizability: 20.24×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 177.5 °C; (20)Enthalpy of Vaporization: 68.41 kJ/mol; (21)Boiling Point: 346.5 °C at 760 mmHg; (22)Vapour Pressure: 3.57E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C(=C\CCC(O)(\C=C)C)C
(2)InChI: InChI=1S/C10H16O3/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)/b8-6+
(3)InChIKey: SSKWMOQUUQAJGV-SOFGYWHQSA-N