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W379905

Sigma-Aldrich

1,2-Dimethoxybenzene

≥99%, FG

Synonym(s):

Pyrocatechol dimethyl ether, Veratrole

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About This Item

Linear Formula:
C6H4(OCH3)2
CAS Number:
Molecular Weight:
138.16
FEMA Number:
3799
Beilstein/REAXYS Number:
1364621
EC Number:
Council of Europe no.:
10320
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
4.062
NACRES:
NA.21

biological source

synthetic

grade

FG
Fragrance grade
Halal

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

assay

≥99%

refractive index

n20/D 1.533 (lit.)

bp

206-207 °C (lit.)

mp

15 °C (lit.)

density

1.084 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

anise; clove; spicy; vanilla

SMILES string

COc1ccccc1OC

InChI

1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3

InChI key

ABDKAPXRBAPSQN-UHFFFAOYSA-N

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pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

161.6 °F - closed cup

flash_point_c

72 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Vincent J Chebny et al.
Organic letters, 11(11), 2253-2256 (2009-05-29)
Definitive X-ray crystallographic evidence is obtained for a single hole (or a polaron) to be uniformly distributed on the three equivalent 1,2-dimethoxybenzenoid (or veratrole) rings in the hexamethoxytriptycene cation radical. This conclusion is further supported by electrochemical analysis and by
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The journal of physical chemistry. A, 109(42), 9456-9464 (2006-07-27)
Rotationally resolved S(1) <-- S(0) electronic spectra of 1,2-dimethoxybenzene (DMB) and its water complex have been observed and assigned. The derived values of the rotational constants show that the bare molecule has a planar heavy-atom structure with trans-disposed methoxy groups

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