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710-14-5 molecular structure
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2-(oxolan-2-ylmethoxy)oxane; 3-(oxolan-2-ylmethoxy)oxane

ChemBase ID: 149020
Molecular Formular: C20H36O6
Molecular Mass: 372.49624
Monoisotopic Mass: 372.25118887
SMILES and InChIs

SMILES:
C1CCOC(C1)OCC1CCCO1.C1CC(COC1)OCC1CCCO1
Canonical SMILES:
C1CCC(OC1)OCC1CCCO1.C1CCC(CO1)OCC1CCCO1
InChI:
InChI=1S/2C10H18O3/c1-3-9(7-11-5-1)13-8-10-4-2-6-12-10;1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h2*9-10H,1-8H2
InChIKey:
OMNURHQDSBSXKB-UHFFFAOYSA-N

Cite this record

CBID:149020 http://www.chembase.cn/molecule-149020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(oxolan-2-ylmethoxy)oxane; 3-(oxolan-2-ylmethoxy)oxane
IUPAC Traditional name
2-(oxolan-2-ylmethoxy)oxane; 3-(oxolan-2-ylmethoxy)oxane
Synonyms
‘T-Solvent’
2(3)-(Tetrahydrofurfuryloxy)tetrahydropyran
2(3)-(四氢糠基氧)四氢吡喃
2(3)-(四氢糠氧基)四氢吡喃
CAS Number
710-14-5
EC Number
211-917-2
MDL Number
MFCD00198008
Beilstein Number
109779
PubChem SID
162243189
PubChem CID
71311378

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
T12807 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311378 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4437057  LogD (pH = 7.4) 1.4437057 
Log P 1.4437057  Molar Refractivity 49.3007 cm3
Polarizability 19.785938 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
208.4 °F expand Show data source
98 °C expand Show data source
Density
1.03 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.461(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C10H18O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T12807 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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