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Your Location：Home>Product Center >> Ketone products >> 2,4,6-Trihydroxyacetophenone monohydrate
  • 2,4,6-Trihydroxyacetophenone monohydrate
Name:2,4,6-Trihydroxyacetophenone monohydrate
CAS No:480-66-0

PRODUCT DESCRIPTION

【Name】
2',4',6'-Trihydroxyacetophenone monohydrate
【Iupac name】
1-(2,4,6-trihydroxyphenyl)ethanone
【CAS Registry number】
480-66-0
【Synonyms】
Phloroacetophenone hydrate
2,4,6-Trihydroxyacetophenone hydrate
Phloroacetophenone
2,4,6-Trihydroxyaetcophenone
2,4,6Trihydroxyacetophenone monohydrate
2,4,6-TRIHYDROXYACETOPHENONE(PHLOROACETOPHENONE)
2,4,6-Trihydroxyacetophenone
【EINECS(EC#)】
207-556-5
【Molecular Formula】
C8H8O4?H2O (Products with the same molecular formula)
【Molecular Weight】
186.16
【Inchi】
InChI=1/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
【InChIKey】
XLEYFDVVXLMULC-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=C(C=C(C=C1O)O)O
【MOL File】
480-66-0.mol

Chemical and Physical Properties

【Appearance】
light yellow crystal
【Density】
1.446 g/cm3
【Melting Point】
219-222℃
【Boiling Point】
333.2 °C at 760 mmHg
【Vapour】
7.16E-05mmHg at 25°C
【Flash Point】
169.5 °C
【Solubilities】
Insoluble
【Color/Form】
light yellow
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29145000
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:168.14672 [g/mol]
Molecular Formula:C8H8O4
XLogP3-AA:1.1
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:1
Tautomer Count:25
Exact Mass:168.042259
MonoIsotopic Mass:168.042259
Topological Polar Surface Area:77.8
Heavy Atom Count:12
Formal Charge:0
Complexity:168
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi 
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-36-24/25?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S24/25:Avoid contact with skin and eyes. 
WGK Germany: 3
RTECS: AN0528000 
Hazard Note: Irritant 
HS Code: 29145000

【Transport】
OTH
【Specification】

?2,4,6-Trihydroxyacetophenone (CAS NO.480-66-0) is also named as 1-(2,4,6-Trihydroxyphenyl)ethanone ; Acetophloroglucine ; Acetylphloroglucinol ; NSC 54927 ; PHLOROACETOPHENONE?; Acetophenone, 2',4',6'-trihydroxy- (8CI) ; Ethanone, 1-(2,4,6-trihydroxyphenyl)-?.?2,4,6-Trihydroxyacetophenone (CAS NO.480-66-0) is light yellow crystal.

Use and Manufacturing

【Usage】

Induced choleresis in rats is mediated through multidrug resistance protein-2 (Mrp2). It enhances bile secretion

Biomedical Effects and Toxicity

【Therapeutic Uses】
Induced choleresis in rats is mediated through multidrug resistance protein-2 (Mrp2). It enhances bile secretion

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