Home > Compound List > Compound details
2425-01-6 molecular structure
click picture or here to close

2-[4-(oxiran-2-ylmethoxy)phenoxymethyl]oxirane

ChemBase ID: 113276
Molecular Formular: C12H14O4
Molecular Mass: 222.23716
Monoisotopic Mass: 222.08920893
SMILES and InChIs

SMILES:
O1C(C1)COc1ccc(OCC2OC2)cc1
Canonical SMILES:
O1CC1COc1ccc(cc1)OCC1OC1
InChI:
InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2
InChIKey:
FSYPIGPPWAJCJG-UHFFFAOYSA-N

Cite this record

CBID:113276 http://www.chembase.cn/molecule-113276.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(oxiran-2-ylmethoxy)phenoxymethyl]oxirane
IUPAC Traditional name
2-[4-(oxiran-2-ylmethoxy)phenoxymethyl]oxirane
Synonyms
Hydroquinone diglycidyl ether
1,4-Bis(glycidyloxy)benzene
2,2'-[1,4-Phenylenebis(oxymethylene)]dioxirane
1,4-双(氧化缩水甘油)苯
CAS Number
2425-01-6
MDL Number
MFCD00186891
PubChem SID
162097810
PubChem CID
62443

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 62443 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3404366  LogD (pH = 7.4) 1.3404366 
Log P 1.3404366  Molar Refractivity 56.4738 cm3
Polarizability 22.684307 Å3 Polar Surface Area 43.52 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
110-112°C expand Show data source
Partition Coefficient
1.192 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

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