Nordihydroguaiaretic acid

The 1,2-Benzenediol,4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, with the CAS registry number 500-38-9, is also known as 2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane. It belongs to the product category of Aromatic Phenols. Its EINECS number is 207-903-0. This chemical's molecular formula is C₁₈H₂₂O₄ and molecular weight is 302.36. What's more, its systematic name is 4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol. Its classification codes are: (1)Analgesics; (2)Analgesics, Non-Narcotic; (3)Anti-Inflammatory Agents; (4)Anti-Inflammatory Agents, Non-Steroidal; (5)Antioxidants; (6)Cyclooxygenase inhibitors; (7)Enzyme Inhibitors; (8)Lipoxygenase inhibitors; (9)Mutation data; (10)Peripheral Nervous System Agents; (11)Protective Agents; (12)Sensory System Agents. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides. It is a potent antioxidant compound found in the long-lived creosote bush. It serves as an antioxidant in fats and oils. It is stable but incompatible with strong oxidizing agents.

Physical properties of 1,2-Benzenediol,4,4'-(2,3-dimethyl-1,4-butanediyl)bis- are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 390.1; (6)ACD/BCF (pH 7.4): 385.63; (7)ACD/KOC (pH 5.5): 2490.88; (8)ACD/KOC (pH 7.4): 2462.34; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 86.26 cm³; (15)Molar Volume: 243.4 cm³; (16)Polarizability: 34.19×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.241 g/cm³; (19)Flash Point: 247.8 °C; (20)Enthalpy of Vaporization: 83.1 kJ/mol; (21)Boiling Point: 526.5 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by the hydrogenation of guaiac-based fatty acid dimethyl ether, and then getting rid of the methyl.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. You should not breathe dust. When using it, you must avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
(2)InChIKey: HCZKYJDFEPMADG-UHFFFAOYSA-N
(3)Canonical SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

The toxicity data is as follows: