| Identification | More | [Name]
1,2-Dimethoxybenzene | [CAS]
91-16-7 | [Synonyms]
1,2-DIMETHOXYBENZENE
CATECHOL DIMETHYL ETHER
DIMETHYLPYROCATECHIN
FEMA 3799
GUAIACOL METHYL ETHER
O-DIMETHOXYBENZENE
PYROCATECHOL DIMETHYL ETHER
VERATROL
VERATROLE
1,2-dimethoxy-benzen
1,2-Dimethoxybenzene (veratroI)
1,2-Dimethoxybenzene (Veratrol)
1,2-Dimethoxybenzene (veratrole)
Benzene, o-dimethoxy-
Dimethylether pyrokatechinu
dimethyletherpyrokatechinu
O,O-Dimethyl catechol
o-dimethoxy-benzen
Orthodimethoxybenzene
ODMB | [EINECS(EC#)]
202-045-3 | [Molecular Formula]
C8H10O2 | [MDL Number]
MFCD00008357 | [Molecular Weight]
138.16 | [MOL File]
91-16-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless crystals or liquid. Soluble in alcohol
and ether; slightly soluble in water. | [Melting point ]
15 °C(lit.)
| [Boiling point ]
206-207 °C(lit.)
| [density ]
1.084 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.63 hPa (25 °C) | [FEMA ]
3799 | [refractive index ]
n20/D 1.533(lit.)
| [Fp ]
189 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
6.69g/l insoluble | [form ]
Powder | [color ]
White to cream | [Odor]
at 1.00 % in dipropylene glycol. sweet creamy vanilla phenolic musty | [biological source]
synthetic | [Odor Type]
vanilla | [Water Solubility ]
Soluble in alcohol, diethyl ether, acetone, and methanol. Slightly soluble in water. | [FreezingPoint ]
21.0 to 23.0 ℃ | [JECFA Number]
1248 | [Merck ]
14,9956 | [BRN ]
1364621 | [Dielectric constant]
4.0899999999999999 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3 | [InChIKey]
ABDKAPXRBAPSQN-UHFFFAOYSA-N | [SMILES]
COc1ccccc1OC | [LogP]
1.75-2.22 at 25℃ | [CAS DataBase Reference]
91-16-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1,2-dimethoxy-(91-16-7) | [EPA Substance Registry System]
91-16-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P301+P312+P330 | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
1
| [RTECS ]
CZ6475000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29093090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral | [Toxicity]
LD50 in rats, mice (mg/kg): 1360, 2020 orally (Jenner) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Petroleum ether-->Catechol-->Chloromethane-->Guaiacol-->1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanone Methyl ether-->1,2-Dimethoxy-4-ethylbenzene-->1-(3,4-Dimethoxy-phenyl)-propan-1-one | [Preparation Products]
6,7-Dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride-->5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile-->3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile-->2,3-Dimethoxyphenylboronic acid-->(3,4-Dimethoxyphenyl)acetonitrile-->4-Chloro-3',4'-dimethoxybenzophenone-->2,3,6,7,10,11-Triphenylenehexol-->4,5-Dimethoxy-1-cyanobenzocyclobutane-->3,4-Dimethoxyphenol-->Ethyl 3,4-dimethoxyphenylacetate-->4-Aminoveratrole-->(R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-->Methoxybenzoquinone-->6,7-Dimethoxyisoquinoline-->3-Isopropylcatechol |
| Questions And Answer | Back Directory | [Description]
1, 2-Dimethoxybenzene, commonly known as veratrole, is an organic compound with the formula C6H4(OCH3)2. It is a colorless liquid with a pleasant odor and slight solubility in water.
It is the dimethyl ether derived from pyrocatechol, too.
1, 2-Dimethoxybenzene is naturally occurring. Its biosynthesis entails the methylation of guaiacol by guaiacol O-methyltransferase.1, 2-Dimethoxybenzene is an insect attractant.
Guaiacol O-methyltransferase gene is first scent gene discovered so far in any plant species. | [Uses]
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. | [References]
1.https://en.wikipedia.org/wiki/1,2-Dimethoxybenzene
2.https://pubchem.ncbi.nlm.nih.gov/compound/1_2-Dimethoxybenzene#section=Chemical-and-Physical-Properties |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless crystals or liquid. Soluble in alcohol
and ether; slightly soluble in water. | [Occurrence]
Reported present in asparagus (raw and cooked), bonito (dried), broccoli (cooked), cauliflower (cooked),
cognac, endive, grape, Gruyere de Comte cheese, guava, leek (raw and heated), olive, peas, rhubarb, rice bran and vanilla extract.
| [Definition]
ChEBI: A dimethoxybenzene with the methoxy groups at ortho-positions. | [Preparation]
Prepared by methylation of pyrocatechol. | [Taste threshold values]
Intolerable at 40 ppm. | [General Description]
1,2-Dimethoxybenzene reacts with Li{N(SO2CF3)2} to yield molecular crystal [Li{N(SO2CF3)2}{C6H4(OCH3)2}2] having solid-state lithium ion conductivity. It is a potential pollinator attractant of the nocturnal moth Hadena bicruris. | [Toxicology]
Data from 1,2-dimethoxybenzene and read-across analog 1,4-dimethoxybenzene (CAS # 150-78-7) show that 1,2-dimethoxybenzene is not expected to be genotoxic. Data show that there are no safety concerns for 1,2-dimethoxybenzene for skin sensitization under the current declared levels of use. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the TTC for a Cramer Class I material, and the exposure to 1,2-dimethoxybenzene is below the TTC (0.03 mg/kg/day, 0.03 mg/kg/day, and 1.4 mg/day, respectively). The phototoxicity/photoallergenicity endpoints were evaluated based on UV spectra; 1,2-dimethoxybenzene is not expected to be phototoxic/photoallergenic. For the environmental endpoints, 1,2-dimethoxybenzene is not a PBT as per the IFRA Environmental Standards, and its risk quotients (i.e., PEC/PNEC) for the aquatic environment, based on its current volume of use in Europe and North America, are < 1
| [Purification Methods]
Steam distil veratrole, then fractionally distil it from BaO, CaH2 or Na. Crystallise it from *benzene or low-boiling pet ether at 0o. Fractionally crystallise it from its melt. Store it over anhydrous Na2SO4. [Beilstein 6 IV 5564.] |
|
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HUAIAN DEPON CHEMICAL CO., LTD. Gold
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18210857532 18210857532 |
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Alfa Aesar
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Energy Chemical
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