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2807-30-9 molecular structure
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2-propoxyethan-1-ol

ChemBase ID: 158019
Molecular Formular: C5H12O2
Molecular Mass: 104.14758
Monoisotopic Mass: 104.08372962
SMILES and InChIs

SMILES:
CCCOCCO
Canonical SMILES:
CCCOCCO
InChI:
InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKey:
YEYKMVJDLWJFOA-UHFFFAOYSA-N

Cite this record

CBID:158019 http://www.chembase.cn/molecule-158019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-propoxyethan-1-ol
IUPAC Traditional name
methylethyl glycol
Synonyms
2-Propoxyethanol
Propyl glycol
Ethylene glycol monopropyl ether
EP Solvent
2-propoxyethan-1-ol
2-丙氧基乙醇
丙氧基乙醇
乙二醇单正丙醚
乙二醇丙醚
CAS Number
2807-30-9
EC Number
220-548-6
MDL Number
MFCD00072645
Beilstein Number
1731983
PubChem SID
24887969
162252155
24878241
PubChem CID
17756

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17756 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121321  H Acceptors
H Donor LogD (pH = 5.5) 0.31377777 
LogD (pH = 7.4) 0.31377777  Log P 0.31377777 
Molar Refractivity 28.5774 cm3 Polarizability 11.260503 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-75 °C(lit.) expand Show data source
-76 - -75°C expand Show data source
Boiling Point
150-153 °C(lit.) expand Show data source
Flash Point
118.4 °F expand Show data source
48 °C expand Show data source
Density
0.913 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.413 expand Show data source
n20/D 1.413(lit.) expand Show data source
Vapor Pressure
1.3 mmHg ( 20 °C) expand Show data source
Hydrophobicity(logP)
0.312 expand Show data source
RTECS
KM2800000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
1986 expand Show data source
MSDS Link
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
3 expand Show data source
Risk Statements
21-36 expand Show data source
Safety Statements
26-36/37-46 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H312-H319 expand Show data source
H312-H319 expand Show data source
GHS Precautionary statements
P280-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 1986 3/PG 3 expand Show data source
Purity
≥99.0% (GC) expand Show data source
95% expand Show data source
99.4% expand Show data source
Grade
puriss. expand Show data source
ReagentPlus® expand Show data source
Linear Formula
CH3CH2CH2OCH2CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 537675 external link
Packaging
1, 4 L in glass bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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