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3208-16-0 molecular structure
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3208-16-0 molecular structure
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2-ethylfuran

ChemBase ID: 90516
Molecular Formular: C6H8O
Molecular Mass: 96.12712
Monoisotopic Mass: 96.05751488
SMILES and InChIs

SMILES:
 o1cccc1CC
Canonical SMILES:
 CCc1ccco1
InChI:
 InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKey:
 HLPIHRDZBHXTFJ-UHFFFAOYSA-N

Cite this record

CBID:90516 http://www.chembase.cn/molecule-90516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethylfuran
IUPAC Traditional name
2-ethylfuran
Synonyms
2-Ethylfuran
2-ETHYL FURAN
2-Ethylfuran
2-乙基呋喃
CAS Number
3208-16-0
EC Number
221-714-0
MDL Number
MFCD00003259
Beilstein Number
105401
PubChem SID
24851246
24901529
162077313
PubChem CID
18554
FEMA ID
3673
Council of Europe Number
11706
Flavis Number
13.092

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 186988 external link Add to cart W367303 external link Add to cart
MP Biomedicals 05223362 external link Add to cart
Alfa Aesar A15520 external link Add to cart
Apollo Scientific OR6028 external link Add to cart
PubChem 18554 external link
Data Source Data ID Price
Sigma Aldrich
186988 external link Add to cart Please log in.
W367303 external link Add to cart Please log in.
MP Biomedicals
05223362 external link Add to cart Please log in.
Alfa Aesar
A15520 external link Add to cart Please log in.
Apollo Scientific
OR6028 external link Add to cart Please log in.
Data Source Data ID
PubChem 18554 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 1.8355751  LogD (pH = 7.4) 1.8355751 
Log P 1.8355751  Molar Refractivity 28.2451 cm3
Polarizability 10.795226 Å3 Polar Surface Area 13.14 Å2
Rotatable Bonds 1  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
92°C expand Show data source
92-93 °C/768 mmHg(lit.) expand Show data source
92-93°C/768mm expand Show data source
92-93°C expand Show data source
Flash Point
-2 °C expand Show data source
-2°C expand Show data source
-2°C(28°F) expand Show data source
28.4 °F expand Show data source
Density
0.912 expand Show data source
0.912 g/ml expand Show data source
0.912 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4400 expand Show data source
n20/D 1.439(lit.) expand Show data source
Organoleptic
ethereal; coffee; sweet expand Show data source
Storage Warning
Air Sensitive expand Show data source
Highly Flammable/Irritant expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1993 expand Show data source
UN3271 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11 expand Show data source
R:11 expand Show data source
Safety Statements
16-29-33 expand Show data source
7-33-43-60 expand Show data source
S:9-16-29 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 expand Show data source
P210-P241-P280-P303+P361+P353-P403+P235-P501A 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
RID/ADR
UN 1993 3/PG 2 expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥99% expand Show data source
97% expand Show data source
98+% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H8O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05223362 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 186988 external link
Packaging
10 g in glass bottle
Sigma Aldrich - W367303 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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