Home > Compound List > Compound details
10008-73-8 molecular structure
click picture or here to close

5-methylideneoxolan-2-one

ChemBase ID: 148274
Molecular Formular: C5H6O2
Molecular Mass: 98.09994
Monoisotopic Mass: 98.03677943
SMILES and InChIs

SMILES:
C=C1CCC(=O)O1
Canonical SMILES:
C=C1CCC(=O)O1
InChI:
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2
InChIKey:
SIFBVNDLLGPEKT-UHFFFAOYSA-N

Cite this record

CBID:148274 http://www.chembase.cn/molecule-148274.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methylideneoxolan-2-one
IUPAC Traditional name
α'-angelica lactone
Synonyms
α′-Angelicalactone
5-Methylenedihydro-2(3H)-furanone
γ-Methylene-γ-butyrolactone
α′-当归内酯
5-甲基-2(3H)-呋喃酮
γ-亚甲基-γ-丁内酯
CAS Number
10008-73-8
EC Number
233-004-8
MDL Number
MFCD00042762
Beilstein Number
1560870
PubChem SID
24856523
162242450
PubChem CID
66201

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66201 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.36975712  LogD (pH = 7.4) 0.36975712 
Log P 0.36975712  Molar Refractivity 25.0708 cm3
Polarizability 9.756357 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
80 °C/17 mmHg(lit.) expand Show data source
Flash Point
194 °F expand Show data source
90 °C expand Show data source
Density
1.096 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.466(lit.) expand Show data source
n20/D 1.467 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
42/43 expand Show data source
Safety Statements
23-36/37 expand Show data source
23-36/37-45 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H317-H334 expand Show data source
GHS Precautionary statements
P261-P280-P342 + P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥95.0% (GC) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Contains
~0.5% 2,6-di-tert-butyl-4-methylphenol as stabilizer expand Show data source
Empirical Formula (Hill Notation)
C5H6O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 273007 external link
Packaging
1 g in glass bottle
Sigma Aldrich - 66737 external link
Other Notes
Synthesis of halo enol lactones1

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