Veratrole
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Veratrole
structure -
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CAS No:
91-16-7
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Formula:
C8H10O2
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Chemical Name:
Veratrole
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Synonyms:
Benzene,1,2-dimethoxy-;Benzene,o-dimethoxy-;1,2-Dimethoxybenzene;o-Dimethoxybenzene;Pyrocatechol dimethyl ether;Veratrol;Veratrole;O,O-Dimethylcatechol;Methylguaiacol;Catechol dimethyl ether;o-Methoxyanisole;o-Hydroquinone dimethyl ether;2-Methoxyanisole;NSC 16934
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CAS No:
Description
Colorless crystals or liquid. Soluble in alcohol and ether; slightly soluble in water.
OtherSolid|Solid|Colourless liquid
Veratrole is a dimethoxybenzene with the methoxy groups at ortho-positions. It has a role as a plant metabolite.
Characteristics
18.5
1.6
OtherSolid
1.2052 g/cm3 @ Temp: 17 °C
22.5 °C
206 °C
87.2±0.0 °C
1.488
Soluble in alcohol, diethyl ether, acetone, and methanol. Slightly soluble in water.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.63 hPa (25 °C)
LD50 in rats, mice (mg/kg): 1360, 2020 orally (Jenner)
3.50e-11 cm3/molecule*sec
Safety Information
1
R20/21/22
S36-S23
CZ6475000
Xn:Harmful;
Stable under normal temperatures and pressures.
P260, P264, P270, P301+P312, P309+P311, P330, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1691 companies from 4 notifications to the ECHA C&L Inventory.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P301+P312, P309+P311, P330, P405, and P501
Veratrole Use and Manufacturing
1, 2-Dimethoxybenzene is a building block for the organic synthesis of other aromatic compounds. Veratrole is relatively electron-rich and thus readily undergoes electrophilic substitution. An example of the use of veratrole is in the synthesis of Domipizone.
Veratrole can easily be brominated with NBS to give 4-bromoveratrole.
Intermediates
All other basic organic chemical manufacturing|Benzene, 1,2-dimethoxy-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:138.16
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:138.068079557
Monoisotopic Mass:138.068079557
Topological Polar Surface Area:18.5
Heavy Atom Count:10
Complexity:81.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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