C9548
Coniferyl alcohol
~98% (GC)
Synonym(s):
3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, 4-Hydroxy-3-methoxycinnamyl alcohol
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About This Item
Linear Formula:
HOC6H3(OCH3)CH=CHCH2OH
CAS Number:
Molecular Weight:
180.20
EC Number:
207-277-9
UNSPSC Code:
12352103
MDL number:
Beilstein/REAXYS Number:
2048961
assay
~98% (GC)
bp
163-165 °C/3 mmHg (lit.)
mp
75-80 °C (lit.)
storage temp.
−20°C
SMILES string
COc1cc(\C=C\CO)ccc1O
InChI
1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
InChI key
JMFRWRFFLBVWSI-NSCUHMNNSA-N
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Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Yu-Chen Miao et al.
Proceedings of the National Academy of Sciences of the United States of America, 107(52), 22728-22733 (2010-12-15)
Lignin is a complex biopolymer derived primarily from the condensation of three monomeric precursors, the monolignols. The synthesis of monolignols occurs in the cytoplasm. To reach the cell wall where they are oxidized and polymerized, they must be transported across
Tuomas Hänninen et al.
Phytochemistry, 72(14-15), 1889-1895 (2011-06-03)
Wood cell wall consists of several structural components, such as cellulose, hemicelluloses and lignin, whose concentrations vary throughout the cell wall. It is a composite where semicrystalline cellulose fibrils, acting as reinforcement, are bound together by amorphous hemicelluloses and lignin
Ericka F Alves et al.
Journal of agricultural and food chemistry, 60(36), 9202-9210 (2012-08-28)
In most native lignins, at least 50% of the phenylpropane (C(9)) units are involved in β-O-4 linkages. It was recently observed that ethylguaiacol (EG) was efficient at trapping coniferyl alcohol generated from the cleavage of uncondensed β-O-4 dimeric structures during
Heath D Watts et al.
Physical chemistry chemical physics : PCCP, 13(47), 20974-20985 (2011-10-20)
Five potential reaction mechanisms, each leading to the formation of an α-O-4-linked coniferyl alcohol dimer, and one scheme leading to the formation of a recently proposed free-radical coniferyl alcohol trimer were assessed using density functional theory (DFT) calculations. These potential
Chirantha P Rodrigo et al.
Journal of the American Chemical Society, 133(8), 2632-2641 (2011-02-08)
Single-conformation spectroscopy of the three lignin monomers (hereafter "monolignols") p-coumaryl alcohol (pCoumA), coniferyl alcohol (ConA), and sinapyl alcohol (SinA) has been carried out on the isolated molecules cooled in a supersonic expansion. Laser-induced fluorescence excitation, dispersed fluorescence, resonant two-photon ionization
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