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15233-65-5 molecular structure
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2,6-dimethoxybenzene-1,4-diol

ChemBase ID: 77393
Molecular Formular: C8H10O4
Molecular Mass: 170.1626
Monoisotopic Mass: 170.0579088
SMILES and InChIs

SMILES:
Oc1cc(c(c(c1)OC)O)OC
Canonical SMILES:
COc1cc(O)cc(c1O)OC
InChI:
InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
InChIKey:
GXAVBFNRWXCOPY-UHFFFAOYSA-N

Cite this record

CBID:77393 http://www.chembase.cn/molecule-77393.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethoxybenzene-1,4-diol
IUPAC Traditional name
HYDROQUINONE26dimethoxy
Synonyms
1,4-Dihydroxy-2,6-dimethoxybenzene
2,6-Dimethoxyhydroxyquinone
1,4-Dihydroxy-2,6-dimethoxybenzene
2,6-二甲氧基羟基醌
2,6-二甲氧基对苯二酚
CAS Number
15233-65-5
EC Number
239-282-7
MDL Number
MFCD00017160
PubChem SID
24879935
162042266
PubChem CID
96038

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 96038 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.591378  H Acceptors
H Donor LogD (pH = 5.5) 1.0507376 
LogD (pH = 7.4) 1.0480039  Log P 1.0507727 
Molar Refractivity 42.9462 cm3 Polarizability 16.627153 Å3
Polar Surface Area 58.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
158-162 °C(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
MX5800000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
(CH3O)2C6H2(OH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 565032 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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