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105-37-3 molecular structure
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ethyl propanoate

ChemBase ID: 110478
Molecular Formular: C5H10O2
Molecular Mass: 102.1317
Monoisotopic Mass: 102.06807956
SMILES and InChIs

SMILES:
CCOC(=O)CC
Canonical SMILES:
CCOC(=O)CC
InChI:
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
InChIKey:
FKRCODPIKNYEAC-UHFFFAOYSA-N

Cite this record

CBID:110478 http://www.chembase.cn/molecule-110478.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl propanoate
IUPAC Traditional name
ethyl propionate
Synonyms
Ethyl propionate
Propionic acid ethyl ester
ETHYL PROPIONATE
丙酸乙酯
CAS Number
105-37-3
EC Number
203-291-4
MDL Number
MFCD00009308
Beilstein Number
506287
Merck Index
143847
PubChem SID
24847086
24887813
162095917
24901102
24901101
24890343
PubChem CID
7749
FEMA ID
2456
Council of Europe Number
402c
402
Flavis Number
9.121

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.97989213  LogD (pH = 7.4) 0.97989213 
Log P 0.97989213  Molar Refractivity 26.7883 cm3
Polarizability 10.71875 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
-73 °C(lit.) expand Show data source
-73°C expand Show data source
-73°C expand Show data source
-74°C expand Show data source
Boiling Point
99 °C(lit.) expand Show data source
99°C expand Show data source
99°C expand Show data source
Flash Point
12 °C expand Show data source
12°C(54°F) expand Show data source
127.4 °F expand Show data source
53 °C expand Show data source
53.6 °F expand Show data source
Auto Ignition Point
887 °F expand Show data source
Density
0.888 g/mL at 25 °C(lit.) expand Show data source
0.891 expand Show data source
0.891 g/ml expand Show data source
Refractive Index
1.3850 expand Show data source
n20/D 1.384 expand Show data source
n20/D 1.384(lit.) expand Show data source
Vapor Pressure
40 mmHg ( 27.2 °C) expand Show data source
Vapor Density
3.52 (vs air) expand Show data source
Organoleptic
ethereal; fruity; pineapple; sweet; wine-like expand Show data source
fruity; sweet; wine-like; ethereal expand Show data source
RTECS
UF3675000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1195 expand Show data source
UN1195 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
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
16-23-24-29-33 expand Show data source
S:16-23-24-29-33 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
11 % 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 1195 3/PG 2 expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
FCC expand Show data source
FDA 21 CFR (172.515) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥97% expand Show data source
≥99.0% (GC) expand Show data source
≥99.7% (GC) expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
natural expand Show data source
NI expand Show data source
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3CH2COOC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215182 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 112305 external link
Packaging
1 L in glass bottle
25, 500 mL in glass bottle
Sigma Aldrich - W245615 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in steel drum
Sigma Aldrich - W245607 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
10, 20 kg in comp drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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