Product Number: 480660
CAS Registry Number: 480-66-0
Name:
Ethanone, 1-(2,4,6-trihydroxyphenyl)-
Acetophenone, 2',4',6'-trihydroxy- (7CI,8CI); Phloroacetophenone (6CI); 1-(2,4,6-Trihydroxyphenyl)ethanone; 2-Acetyl-1,3,5-trihydroxybenzene; 2',4',6'-Trihydroxyacetophenone; Acetophloroglucine; Acetylphloroglucinol; NSC 54927; Phloracetophene; Phloracetophenone
Chemical Formula: C8H8O4
Exact Mass: 168.04
Molecular Weight: 168.15
m/z: 168.04 (100.0%), 169.05 (8.9%), 170.05 (1.2%)
Elemental Analysis: C, 57.14; H, 4.80; O, 38.06
InChI: InChI=1S/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
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Thermal Properties |
Value |
Condition |
Note |
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Melting Point |
284-285 °C |
Solv: ethanol (64-17-5); hydrochloric acid (7647-01-0) |
(16)CAS |
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Melting Point |
219-220 °C |
Solv: water (7732-18-5) |
(17)CAS |
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Melting Point |
218.5 °C |
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(18)CAS |
|
Melting Point |
218-219 °C |
|
(19)CAS |
|
Melting Point |
218 °C |
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(20)CAS |
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Melting Point |
218 °C |
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(21)CAS |
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(1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(8) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
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(9) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
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(33) Lin, Hou-Yu; Rapid Communications in Mass Spectrometry 2014, V28(1), P77-82 CAPLUS
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