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96-49-1 molecular structure
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1,3-dioxolan-2-one

ChemBase ID: 107150
Molecular Formular: C3H4O3
Molecular Mass: 88.06206
Monoisotopic Mass: 88.01604399
SMILES and InChIs

SMILES:
O=C1OCCO1
Canonical SMILES:
O=C1OCCO1
InChI:
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
InChIKey:
KMTRUDSVKNLOMY-UHFFFAOYSA-N

Cite this record

CBID:107150 http://www.chembase.cn/molecule-107150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dioxolan-2-one
IUPAC Traditional name
ethylene carbonate
Synonyms
2-DIOXOLONE
1,3-dioxolan-2-one
ethylene glycol carbonate
Ethylene carbonate
GLYCOL CARBONATE
1,3-Dioxolan-2-one
Ethylene carbonate
1,3-二氧戊环-2-酮
碳酸乙烯酯
碳酸亚乙酯
CAS Number
96-49-1
EC Number
202-510-0
MDL Number
MFCD00005382
Beilstein Number
106249
PubChem SID
24894476
24877564
24885334
162093248
PubChem CID
7303
Chemspider ID
7030
Wikipedia Title
Ethylene_carbonate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.37031454  LogD (pH = 7.4) 0.37031454 
Log P 0.37031454  Molar Refractivity 17.0674 cm3
Polarizability 7.1503153 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Miscible (40%) with water, alchohol ethyl acetate, benzene and chloroform. Soluble in ether, n-Butanol, and carbon tetrachloride. expand Show data source
Soluble in water expand Show data source
Apperance
White to yellow solid expand Show data source
Melting Point
34 - 37°C expand Show data source
35-37°C expand Show data source
35-38 °C expand Show data source
35-38 °C(lit.) expand Show data source
37 - 39°C expand Show data source
Boiling Point
243-244 °C/740 mmHg(lit.) expand Show data source
244-245°C expand Show data source
260.7°C expand Show data source
Flash Point
143 °C expand Show data source
150°C (302°F) expand Show data source
160°C(320°F) expand Show data source
289.4 °F expand Show data source
Auto Ignition Point
465°C (869°F) expand Show data source
Density
1.320 expand Show data source
1.321 g/mL at 25 °C(lit.) expand Show data source
1.3210 g/cm3 expand Show data source
Vapor Pressure
0.02 mmHg ( 36.4 °C) expand Show data source
Vapor Density
3.04 (vs air) expand Show data source
Hydrophobicity(logP)
-0.902 expand Show data source
RTECS
FF9550000 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
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36/37/38 expand Show data source
R41 expand Show data source
Safety Statements
26-36 expand Show data source
26-37-60 expand Show data source
S26 S39 expand Show data source
TSCA Listed
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% (GC) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
anhydrous expand Show data source
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
<0.005% water expand Show data source
≤0.005% water expand Show data source
Empirical Formula (Hill Notation)
C3H4O3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202735 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05206178 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - E26258 external link
Packaging
100, 500 g in poly bottle
3 kg in poly bottle
Sigma Aldrich - 676802 external link
Packaging
1, 6×1 L in aluminum bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Ethylene oxide equivalent for introduction of the 2-hydroxyethyl group, by reaction with various nucleophiles. Reacts with thiols (K2CO3/18-crown-6) to give 2-hydroxyethyl sulfides: Synthesis, 382 (1986).
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PATENTS

PATENTS

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INTERNET

INTERNET

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