84-79-7

Name LAPACHOL
CAS 84-79-7
EINECS(EC#) 201-563-7
Molecular Formula C15H14O3
MDL Number MFCD00001679
Molecular Weight 242.27
MOL File 84-79-7.mol

Chemical Properties

Melting point  141-143 °C(lit.)
Boiling point  325.09°C (rough estimate)
density  1.2077 (rough estimate)
refractive index  1.5740 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  ethanol: soluble10mg/mL, clear, light yellow to yellow
Colour Index  75490
form  Solid
pka 4.81±0.10(Predicted)
color  Yellow to Dark Yellow
Merck  13,5382
Cosmetics Ingredients Functions SKIN PROTECTING
ANTIOXIDANT
InChI InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3
Contact allergens
Lapachol, a benzoquinone, is a secondary allergen in teak (Tectona grandis L., Verbenaceae family), a wood largely used for various indoor and outdoor applications (doors, windows, etc.) because of its strong durability. It has similar reactivity to deoxylapachol. Seealso Chap. 46
InChIKey CIEYTVIYYGTCCI-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=CC=C2)C(=O)C(C/C=C(/C)\C)=C1O
LogP 2.516 (est)
CAS DataBase Reference 84-79-7

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  QL8750000
Toxicity
LD50 in male, female BALB/c mice (g/kg): 0.487; 0.792 orally (Morrison)

Hazard Information

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