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557-31-3 molecular structure
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3-ethoxyprop-1-ene

ChemBase ID: 9940
Molecular Formular: C5H10O
Molecular Mass: 86.1323
Monoisotopic Mass: 86.07316494
SMILES and InChIs

SMILES:
C=CCOCC
Canonical SMILES:
CCOCC=C
InChI:
InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3
InChIKey:
OJPSFJLSZZTSDF-UHFFFAOYSA-N

Cite this record

CBID:9940 http://www.chembase.cn/molecule-9940.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethoxyprop-1-ene
IUPAC Traditional name
allyl ethyl ether
Synonyms
Allyl ethyl ether
3-Ethoxypropene
Ethyl allyl ether
Allyl ethyl ether
3-Ethoxy-1-propene
3-乙氧丙烯
乙基烯丙基醚
烯丙基乙基醚
CAS Number
557-31-3
EC Number
209-169-7
MDL Number
MFCD00009255
Beilstein Number
1361480
Merck Index
14293
PubChem SID
160973247
24854148
24845409
PubChem CID
11191

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2126073  LogD (pH = 7.4) 1.2126073 
Log P 1.2126073  Molar Refractivity 26.9238 cm3
Polarizability 10.393685 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
64-65°C expand Show data source
64-65°C expand Show data source
65-66 °C(lit.) expand Show data source
Flash Point
-20°C(-4°F) expand Show data source
-21 °C expand Show data source
-5.8 °F expand Show data source
Density
0.76 g/mL at 25 °C(lit.) expand Show data source
0.760 expand Show data source
0.7600 expand Show data source
Refractive Index
1.3822 expand Show data source
1.3880 expand Show data source
n20/D 1.388 expand Show data source
n20/D 1.388(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
TOXIC, FLAMMABLE expand Show data source
RTECS
KM9120000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2335 expand Show data source
UN2335 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
11-19-20/22 expand Show data source
11-36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
9-16-23-33-36 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H331 expand Show data source
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P301+P310-P303+P361+P353-P405-P501A expand Show data source
P210-P261-P305 + P351 + P338 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 2335 3/PG 2 expand Show data source
Purity
≥95% (GC) expand Show data source
95% expand Show data source
96% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Impurities
1-5% ethanol expand Show data source
Linear Formula
C2H5OCH2CH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 238228 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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