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111-43-3 molecular structure
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1-propoxypropane

ChemBase ID: 108161
Molecular Formular: C6H14O
Molecular Mass: 102.17476
Monoisotopic Mass: 102.10446507
SMILES and InChIs

SMILES:
CCCOCCC
Canonical SMILES:
CCCOCCC
InChI:
InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChIKey:
POLCUAVZOMRGSN-UHFFFAOYSA-N

Cite this record

CBID:108161 http://www.chembase.cn/molecule-108161.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-propoxypropane
IUPAC Traditional name
DI(N-propyl) ether
Synonyms
propyl ether
dipropyl ether
di-n-propyl ether
Dipropyl ether
DI-n-PROPYL ETHER
Dipropyl ether
n-Propyl ether
Di-n-propyl ether
丙醚
二丙醚
正丙醚
CAS Number
111-43-3
EC Number
203-869-6
MDL Number
MFCD00009376
Beilstein Number
1731312
PubChem SID
162094017
24847025
PubChem CID
8114
Chemspider ID
7823
Wikipedia Title
Dipropyl_ether

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8832102  LogD (pH = 7.4) 1.8832102 
Log P 1.8832102  Molar Refractivity 31.5577 cm3
Polarizability 12.476034 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)
Solubility
3 g/L (20 °C) in water expand Show data source
Apperance
Colorless liquid expand Show data source
Melting Point
-122°C expand Show data source
-122°C expand Show data source
-123 °C(lit.) expand Show data source
Boiling Point
88-90 °C(lit.) expand Show data source
89°C expand Show data source
90°C expand Show data source
90-91°C expand Show data source
Flash Point
-18°C (-0.399999999999999°F) expand Show data source
-18.4 °F expand Show data source
-28 °C expand Show data source
-28°C(-18°F) expand Show data source
Density
0.736 g/mL at 25 °C(lit.) expand Show data source
0.7360 g/ml expand Show data source
0.747 expand Show data source
0.75 g/cm3 expand Show data source
Refractive Index
n20/D 1.380(lit.) expand Show data source
Vapor Pressure
55 mmHg ( 20 °C) expand Show data source
RTECS
UJ5125000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
2384 expand Show data source
UN2384 expand Show data source
MSDS Link
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
11-19-66-67 expand Show data source
R:11-19-66-67 expand Show data source
Safety Statements
9-16-29-33 expand Show data source
S:9-16-29-33 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H336 expand Show data source
GHS Precautionary statements
P210-P241-P261-P303+P361+P353-P405-P501A expand Show data source
P210-P261 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 2384 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Repeated exposure may cause skin dryness or cracking. expand Show data source
Purity
≥99% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3CH2CH2)2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206288 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 111333 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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