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Your Location：Home>Product Center >> Ketone products >> 2,6-Dihydroxyacetophenone
  • 2,6-Dihydroxyacetophenone
Name:2,6-Dihydroxyacetophenone
CAS No:699-83-2

PRODUCT DESCRIPTION

【Name】
2',6'-Dihydroxyacetophenone
【Iupac name】
1-(2,6-dihydroxyphenyl)ethanone
【CAS Registry number】
699-83-2
【Synonyms】
Acetophenone,2,6-dihydroxy- (3CI)
Acetophenone, 2',6'-dihydroxy- (7CI,8CI)
1,3-Benzenediol, 2-acetyl-
1-(2,6-Dihydroxyphenyl)ethanone
2-Acetylbenzene-1,3-diol
2-Acetylresorcinol
Ethanone,1-(2,6-dihydroxyphenyl)-
NSC615
【EINECS(EC#)】
211-833-6
【Molecular Formula】
C8H8O3 (Products with the same molecular formula)
【Molecular Weight】
152.15
【Inchi】
InChI=1/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
【InChIKey】
YPTJKHVBDCRKNF-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=C(C=CC=C1O)O
【MOL File】
699-83-2.mol

Chemical and Physical Properties

【Appearance】
yellowish-beige powder
【Density】
1.291 g/cm3
【Melting Point】
155-158℃
【Boiling Point】
262.8 °C at 760 mmHg
【Refractive Index】
1.595
【Flash Point】
127 ºC
【Water】
sparingly soluble
【Solubilities】
50 mg/mL in dioxane
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29145000
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:152.14732 [g/mol]
Molecular Formula:C8H8O3
XLogP3-AA:1.4
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:12
Exact Mass:152.047344
MonoIsotopic Mass:152.047344
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Formal Charge:0
Complexity:145
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:2
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
【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
Hazard Note: Irritant 
HS Code: 29145000

【Specification】

?2',6'-Dihydroxyacetophenone (CAS NO.699-83-2) is also named as 1,3-Benzenediol, 2-acetyl- ; 2,6-Dihydroxyacetophenone ; 2-Acetylresorcinol ; NSC 615 ; Resorcinol, 2-acetyl- ; gamma-Resacetophenone?; Acetophenone, 2',6'-dihydroxy- (8CI) ; Ethanone, 1-(2,6-dihydroxyphenyl)- (9CI)?.?2',6'-Dihydroxyacetophenone (CAS NO.699-83-2) is?yellowish-beige powder.

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