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24599-58-4 molecular structure
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1,4-dimethoxy-2-methylbenzene

ChemBase ID: 146665
Molecular Formular: C9H12O2
Molecular Mass: 152.19038
Monoisotopic Mass: 152.08372962
SMILES and InChIs

SMILES:
Cc1cc(ccc1OC)OC
Canonical SMILES:
COc1ccc(c(c1)C)OC
InChI:
InChI=1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3
InChIKey:
IQISOVKPFBLQIQ-UHFFFAOYSA-N

Cite this record

CBID:146665 http://www.chembase.cn/molecule-146665.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dimethoxy-2-methylbenzene
IUPAC Traditional name
1,4-dimethoxy-2-methylbenzene
Synonyms
2,5-Dimethoxytoluene
1,4-Dimethoxy-2-methylbenzene
2,5-二甲氧基甲苯
CAS Number
24599-58-4
EC Number
246-343-1
MDL Number
MFCD00041901
PubChem SID
162240858
24866482
PubChem CID
90552

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 90552 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1713247  LogD (pH = 7.4) 2.1713247 
Log P 2.1713247  Molar Refractivity 44.0256 cm3
Polarizability 17.125847 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
19-21°C expand Show data source
Boiling Point
218-220 °C/751 mmHg(lit.) expand Show data source
220°C expand Show data source
Flash Point
102 °C expand Show data source
102°C(216°F) expand Show data source
215.6 °F expand Show data source
Density
1.049 g/mL at 25 °C(lit.) expand Show data source
1.050 expand Show data source
Refractive Index
1.5240 expand Show data source
n20/D 1.522(lit.) 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
38 expand Show data source
Safety Statements
26-36 expand Show data source
37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P264-P302+P352-P321-P362-P332+P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Linear Formula
CH3C6H3(OCH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 423262 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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