Product Number: 2380781
CAS Registry Number: 2380-78-1
Name:
Benzeneethanol, 4-hydroxy-3-methoxy-
Phenethyl alcohol, 4-hydroxy-3-methoxy- (6CI,7CI,8CI); 2-(3-Methoxy-4-hydroxyphenyl)ethanol; 2-(4-Hydroxy-3-methoxyphenyl)ethanol; 3-Methoxy-4-hydroxyphenethanol; 3-Methoxy-4-hydroxyphenethyl alcohol; 4-(2-Hydroxyethyl)-2-methoxyphenol; 4-(2-Hydroxyethyl)guaiacol; 4-Hydroxy-3-methoxyphenethyl alcohol; 4-Hydroxy-3-methoxyphenylethanol; Ba 2772; Homovanillic alcohol; Homovanillyl alcohol; Vanillylmethanol
Chemical Formula: C9H12O3
Exact Mass: 168.08
Molecular Weight: 168.19
m/z: 168.08 (100.0%), 169.08 (10.0%)
Elemental Analysis: C, 64.27; H, 7.19; O, 28.54
InChI: InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKey: XHUBSJRBOQIZNI-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=CC(=C1)CCO)O
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Thermal Properties |
Value |
Condition |
Note |
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Melting Point |
44 °C |
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(12)CAS |
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Melting Point |
40-42 °C |
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(13)SRC |
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(1) Benavente, Fernando; Electrophoresis 2006, V27(22), P4570-4584 CAPLUS
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(2) 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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(3) 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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(4) Grasso, Salvatore; Bioorganic Chemistry 2007, V35(2), P137-152 CAPLUS
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(5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(6) Alissandrakis, Eleftherios; Journal of the Science of Food and Agriculture 2005, V85(9), P1444-1452 CAPLUS
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(7) Jesus Ibarz, M.; Journal of Chromatography A 2006, V1116(1-2), P217-229 CAPLUS
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(8) Pinto, Joana; British Journal of Nutrition 2011, V105(11), P1607-1618 CAPLUS
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(9) Belaid, Chokri; Journal of Applied Electrochemistry 2006, V36(10), P1175-1182 CAPLUS
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(10) Khymenets, Olha; Food Chemistry 2011, V126(1), P306-314 CAPLUS
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(11) Kraus, Rupert; Phytochemistry 1990, V29(5), P1653-9 CAPLUS
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(12) Von Wacek, Anton; Monatshefte fuer Chemie 1966, V97(3), P744-53 CAPLUS
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(13) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
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(14) Christophoridou, Stella; Journal of Agricultural and Food Chemistry 2005, V53(12), P4667-4679 CAPLUS
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(15) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(16) Christophoridou, Stella; Analytica Chimica Acta 2009, V633(2), P283-292 CAPLUS
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