Caffeic acid
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Caffeic acid
structure -
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CAS No:
331-39-5
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Formula:
C9H8O4
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Chemical Name:
Caffeic acid
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Synonyms:
2-Propenoic acid,3-(3,4-dihydroxyphenyl)-;Cinnamic acid,3,4-dihydroxy-;3-(3,4-Dihydroxyphenyl)-2-propenoic acid;Caffeic acid;3,4-Dihydroxycinnamic acid;3-(3,4-Dihydroxyphenyl)propenoic acid;4-(2-Carboxyethenyl)-1,2-dihydroxybenzene;4-(2′-Carboxyvinyl)-1,2-dihydroxybenzene;3,4-Dihydroxybenzeneacrylic acid;NSC 57197;NSC 623438;DHCA
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CAS No:
Characteristics
77.76000
1.2
yellow to tan powder
1.478 g/cm3
225 °C (decomp)
416.8ºC at 760 mmHg
220ºC
1.707
Sparingly soluble in cold water. Freely soluble in hot water, cold alcohol.
Store at RT.
4.62(at 25 °C)
Safety Information
NONH for all modes of transport
3
R36/37/38; R40
S26-S36/37/39
GD8950000
Xn
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
P261-P281-P305 + P351 + P338
H315-H319-H335-H351-H361
Caffeic acid Use and Manufacturing
Caffeic Acid is a constituent of plants, probably occurs in plants only in conjugated forms. Caffeic acid is found in all plants because it is a key intermediate in the biosynthesis of lignin, one of the principal sources of biomass. Caffeic acid is one of the main natural phenols in argan oi.
Computed Properties
Molecular Weight:180.16
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:77.8
Heavy Atom Count:13
Complexity:212
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
It is a hemostatic and leukocyte-raising drug that has the functions of contracting and strengthening microvessels, improving the function of coagulation factors, and increasing the number of leukocytes and platelets.
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