Home > Compound List > Compound details
453-20-3 molecular structure
click picture or here to close

oxolan-3-ol

ChemBase ID: 63405
Molecular Formular: C4H8O2
Molecular Mass: 88.10512
Monoisotopic Mass: 88.0524295
SMILES and InChIs

SMILES:
C1(O)COCC1
Canonical SMILES:
OC1COCC1
InChI:
InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
InChIKey:
XDPCNPCKDGQBAN-UHFFFAOYSA-N

Cite this record

CBID:63405 http://www.chembase.cn/molecule-63405.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxolan-3-ol
IUPAC Traditional name
3-furanol, tetrahydro-
3-hydroxytetrahydrofuran
Synonyms
3-Hydroxytetrahydrofuran
Tetrahydrofuran-3-ol
3-OH THF
3-Hydroxytetrahydrofuran
oxolan-3-ol
3-羟基四氢呋喃
CAS Number
453-20-3
EC Number
207-219-2
MDL Number
MFCD00005374
PubChem SID
24895720
162029144
PubChem CID
9960
Chemspider ID
9566
Wikipedia Title
3-Hydroxytetrahydrofuran

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.39322  H Acceptors
H Donor LogD (pH = 5.5) -0.6173507 
LogD (pH = 7.4) -0.61735076  Log P -0.6173507 
Molar Refractivity 21.8714 cm3 Polarizability 8.717666 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
179 °C (88-89 °C @17 mm Hg) expand Show data source
181 °C(lit.) expand Show data source
Flash Point
177.8 °F expand Show data source
81 °C expand Show data source
Density
1.087 g/cm3 @19 °C expand Show data source
1.09 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.45(lit.) expand Show data source
Vapor Pressure
760 mmHg ( 181 °C) expand Show data source
Hydrophobicity(logP)
-0.781 expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
LU3450050 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
false 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
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
ReagentPlus® expand Show data source
Empirical Formula (Hill Notation)
C4H8O2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - H59109 external link
Packaging
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

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