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6881-94-3 molecular structure
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2-(2-propoxyethoxy)ethan-1-ol

ChemBase ID: 158701
Molecular Formular: C7H16O3
Molecular Mass: 148.20014
Monoisotopic Mass: 148.10994437
SMILES and InChIs

SMILES:
CCCOCCOCCO
Canonical SMILES:
CCCOCCOCCO
InChI:
InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3
InChIKey:
DJCYDDALXPHSHR-UHFFFAOYSA-N

Cite this record

CBID:158701 http://www.chembase.cn/molecule-158701.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-propoxyethoxy)ethan-1-ol
IUPAC Traditional name
2-(2-propoxyethoxy)ethanol
Synonyms
2-(2-Propoxyethoxy)ethanol
DP Solvent
Diethylene glycol monopropyl ether
2-(2-丙氧乙氧基)乙醇
DP 溶剂
二乙二醇单丙醚
CAS Number
6881-94-3
EC Number
229-985-7
MDL Number
MFCD00072697
PubChem SID
24878240
162252837
PubChem CID
81313

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
537667 external link Add to cart Please log in.
Data Source Data ID
PubChem 81313 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) 0.26680225 
LogD (pH = 7.4) 0.26680225  Log P 0.26680225 
Molar Refractivity 39.6209 cm3 Polarizability 15.65072 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
212-216 °C(lit.) expand Show data source
Flash Point
199.4 °F expand Show data source
93 °C expand Show data source
Density
0.969 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
99% expand Show data source
Linear Formula
C3H7OCH2CH2OC2H5OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 537667 external link
Packaging
1 L in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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