4-Hydroxy-3,5-dimethylbenzoic acid
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4-Hydroxy-3,5-dimethylbenzoic acid
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CAS No:
4919-37-3
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Formula:
C9H10O3
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Chemical Name:
4-Hydroxy-3,5-dimethylbenzoic acid
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Synonyms:
Benzoic acid,4-hydroxy-3,5-dimethyl-;4-Hydroxy-3,5-dimethylbenzoic acid;3,5-Dimethyl-4-hydroxybenzoic acid;2,6-Dimethyl-4-carboxyphenol;NSC 68319
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CAS No:
4-Hydroxy-3,5-dimethylbenzoic acid Basic Attributes
166.17
166.17
928-921-1
68319
DTXSID20197704
2918290000
Characteristics
57.5
0.9
off-white to light pink or light beige crystalline
1.3±0.1 g/cm3
221-224.5 °C @ Solvent: Water, Ethanol
331.3°C at 760 mmHg
168.4±21.1 °C
1.588
Safety Information
R36/37/38
S37/39-S26
DG8997500
Xi:Irritant;
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): 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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-Hydroxy-3,5-dimethylbenzoic acid Use and Manufacturing
(1) in 500 ml in the reaction bottle, to join the hydroxy benzoic acid 138g (1 µM), adding methanol 160g (5 µM), solid acid 50g, stirring to a solid uniform. In putting into ultrasonic reactor, and is additionally provided with a return device, the reaction temperature is 40 - 60 °C, ultrasonic power 500W, reaction 1 - 3h, reaction solution gradually changed from white to yellow, and then into orange red. HPLC tracking the conversion rate of the reaction, the reaction to the hydroxy benzoic acid is less than 5percent the following calculating the reaction is complete, stopping the reaction, filtering of the solid acid catalyst, the catalyst can be applied to the next reaction; the filter placed about 5 - 10 °C crystalline 6 - 10h, the crystal filter, 50 - 60 °C drying 6h, HPLC detection, impurities less than 0.1percent, to obtain the intermediate 4 - hydroxy - 3, 5 - dimethyl benzoic acid 141g, yield is 85percent.
Computed Properties
Molecular Weight:166.17
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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