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| White or yellow white needle shaped crystals or powder with a pungent odor. Melting point 68-70 ℃, boiling point 333-335 ℃, 198-200 ℃ (1.733-1.867kPa), 178-180 ℃ (800-933Pa). Can be miscible with methanol, ethanol, acetone, chloroform, benzene, ether, and vegetable oil, and slightly soluble in petroleum ether and water. Highly convergent, placing it on the tongue can cause it to lose consciousness. Rat oral LD50550mg/kg, ADI not subject to restrictive regulations (FAO/WHO, 1995) | |||||||||
136-77-6
futurechemical
136-77-6
4-Hexylresorcinol Basic information | |
Product Name: | 4-Hexylresorcinol |
CAS: | 136-77-6 |
MF: | C12H18O2 |
MW: | 194.27 |
EINECS: | 205-257-4 |
Mol File: | 136-77-6.mol |
4-Hexylresorcinol Chemical Properties | |
Melting point | 65-67 °C (lit.) |
Boiling point | 333-335 °C (lit.) |
bulk density | 340kg/m3 |
density | 1.0010 (rough estimate) |
vapor pressure | 0.001Pa at 25℃ |
refractive index | 1.5050 (estimate) |
Fp | >100°C |
storage temp. | 2-8°C |
solubility | chloroform: 50 mg/mL, clear |
pka | pKa 9.1 (Uncertain) |
form | Powder and/or Chunks |
color | White to pale orange or pale pink |
PH | 7.7 (0.5g/l, H2O, 20℃) |
Water Solubility | 0.05 g/100 mL (18 ºC) |
BRN | 2048312 |
Henry's Law Constant | 3.8×104 mol/(m3Pa) at 25℃, HSDB (2015) |
Stability: | Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents. |
Cosmetics Ingredients Functions | ANTIMICROBIAL |
InChI | 1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3 |
InChIKey | WFJIVOKAWHGMBH-UHFFFAOYSA-N |
SMILES | CCCCCCc1ccc(O)cc1O |
LogP | 3.34 at 20℃ |
Surface tension | 36.59mN/m at 1g/L and 20℃ |
CAS DataBase Reference | 136-77-6(CAS DataBase Reference) |
NIST Chemistry Reference | Hexylresorcinol(136-77-6) |
EPA Substance Registry System | 4-Hexylresorcinol (136-77-6) |
