4-Hexylresorcinol CAS 136-77-6

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)

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Model:
136-77-6
Brand:
futurechemical
Code:
136-77-6

Product Description

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)