Home > Compound List > Compound details
27043-36-3 molecular structure
click picture or here to close

1,3-bis(oxiran-2-ylmethoxy)propan-2-ol; 2,3-bis(oxiran-2-ylmethoxy)propan-1-ol

ChemBase ID: 149443
Molecular Formular: C18H32O10
Molecular Mass: 408.44068
Monoisotopic Mass: 408.19954722
SMILES and InChIs

SMILES:
C1C(O1)COCC(CO)OCC1CO1.C1C(O1)COCC(COCC1CO1)O
Canonical SMILES:
OC(COCC1OC1)COCC1OC1.OCC(OCC1OC1)COCC1OC1
InChI:
InChI=1S/2C9H16O5/c10-7(1-11-3-8-5-13-8)2-12-4-9-6-14-9;10-1-7(12-5-9-6-14-9)2-11-3-8-4-13-8/h2*7-10H,1-6H2
InChIKey:
QFMWJDGCJROGRC-UHFFFAOYSA-N

Cite this record

CBID:149443 http://www.chembase.cn/molecule-149443.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-bis(oxiran-2-ylmethoxy)propan-2-ol; 2,3-bis(oxiran-2-ylmethoxy)propan-1-ol
IUPAC Traditional name
1,3-bis(oxiran-2-ylmethoxy)propan-2-ol; 2,3-bis(oxiran-2-ylmethoxy)propan-1-ol
Synonyms
Glycerol diglycidyl ether
甘油二缩水甘油基醚
CAS Number
27043-36-3
PubChem SID
24871162
162243608
PubChem CID
71311412

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
475734 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311412 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.6029005  H Acceptors
H Donor LogD (pH = 5.5) -0.87022775 
LogD (pH = 7.4) -0.8702278  Log P -0.87022775 
Molar Refractivity 47.5079 cm3 Polarizability 19.370415 Å3
Polar Surface Area 60.45 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.229 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.482(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
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
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
technical grade expand Show data source
Empirical Formula (Hill Notation)
C9H16O5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 475734 external link
Packaging
100, 500 mL in poly 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