Home > Compound List > Compound details
4463-33-6 molecular structure
click picture or here to close

1,2-dimethoxy-3-methylbenzene

ChemBase ID: 151226
Molecular Formular: C9H12O2
Molecular Mass: 152.19038
Monoisotopic Mass: 152.08372962
SMILES and InChIs

SMILES:
Cc1cccc(c1OC)OC
Canonical SMILES:
COc1c(OC)cccc1C
InChI:
InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3
InChIKey:
WMXFNCKPYCAIQW-UHFFFAOYSA-N

Cite this record

CBID:151226 http://www.chembase.cn/molecule-151226.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethoxy-3-methylbenzene
IUPAC Traditional name
1,2-dimethoxy-3-methyl-benzene
Synonyms
3-Methylveratrole
2,3-Dimethoxytoluene
1,2-Dimethoxy-3-methylbenzene
3-甲基藜芦醚
2,3-二甲氧基甲苯
CAS Number
4463-33-6
EC Number
224-726-4
MDL Number
MFCD00008379
Beilstein Number
1940962
PubChem SID
162245382
24847246
PubChem CID
78215

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78215 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 17.128267 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)
Boiling Point
202-203 °C(lit.) expand Show data source
202-203°C expand Show data source
Flash Point
186.8 °F expand Show data source
85°C(185°F) expand Show data source
86 °C expand Show data source
Density
1.024 expand Show data source
1.025 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5140 expand Show data source
n20/D 1.514(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
Safety Statements
26-36 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
H227 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 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
95+% 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 - 115878 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle