3,4,5-Trimethoxybenzoic acid
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3,4,5-Trimethoxybenzoic acid
structure -
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CAS No:
118-41-2
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Formula:
C10H12O5
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Chemical Name:
3,4,5-Trimethoxybenzoic acid
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Synonyms:
Benzoic acid,3,4,5-trimethoxy-;3,4,5-Trimethoxybenzoic acid;Eudesmic acid;Gallic acid trimethyl ether;Tri-O-methylgallic acid;Trimethylgallic acid;NSC 2525;1195674-42-0
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CAS No:
Description
3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis.
Solid
3,4,5-trimethoxybenzoic acid is a benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. It has a role as a plant metabolite, a human xenobiotic metabolite and a human urinary metabolite. It is a member of benzoic acids and a member of methoxybenzenes. It derives from a benzoic acid. It is a conjugate acid of a 3,4,5-trimethoxybenzoate.
3,4,5-Trimethoxybenzoic acid Basic Attributes
212.19900
212.20
204-248-2
V5C9H0SC9F
2525
DTXSID3059472
29189090
Characteristics
64.99000
1.4
Solid
1.219 g/cm3
172.3 °C
225-227ºC (10 mmHg)
128.8ºC
1.524
H2O: SLIGHTLY soluble
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.
2.49E-06mmHg at 25°C
Safety Information
NONH for all modes of transport
1
R36/37/38
S26-S36
Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (98.33%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 100 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4,5-Trimethoxybenzoic acid Use and Manufacturing
A metabolite of Trimebutine (T795605).
Benzoic acid, 3,4,5-trimethoxy-: ACTIVE
Computed Properties
Molecular Weight:212.20
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:212.06847348
Monoisotopic Mass:212.06847348
Topological Polar Surface Area:65
Heavy Atom Count:15
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3,4,5-Trimethoxybenzoic acid
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