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16024-58-1 molecular structure
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2-[2-(2-methoxyethoxy)ethoxy]acetic acid

ChemBase ID: 147389
Molecular Formular: C7H14O5
Molecular Mass: 178.18306
Monoisotopic Mass: 178.08412355
SMILES and InChIs

SMILES:
COCCOCCOCC(=O)O
Canonical SMILES:
COCCOCCOCC(=O)O
InChI:
InChI=1S/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey:
YHBWXWLDOKIVCJ-UHFFFAOYSA-N

Cite this record

CBID:147389 http://www.chembase.cn/molecule-147389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(2-methoxyethoxy)ethoxy]acetic acid
IUPAC Traditional name
[2-(2-methoxyethoxy)ethoxy]acetic acid
Synonyms
O-[2-(2-Methoxyethoxy)ethyl]glycolic acid
2-[2-(2-Methoxyethoxy)ethoxy]acetic acid
2-[2-(2-甲氧基乙氧基)乙氧基]乙酸
CAS Number
16024-58-1
EC Number
240-162-1
MDL Number
MFCD00044098
Beilstein Number
1769137
PubChem SID
162241577
24865416
PubChem CID
85241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 85241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.618135  H Acceptors
H Donor LogD (pH = 5.5) -2.3692787 
LogD (pH = 7.4) -3.8280432  Log P -0.49141827 
Molar Refractivity 41.1841 cm3 Polarizability 16.374624 Å3
Polar Surface Area 64.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
140 °C/2 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.161 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.446 expand Show data source
n20/D 1.446(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
3265 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
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 3 expand Show data source
Purity
≥90% (GC) expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Linear Formula
CH3(OCH2CH2)2OCH2CO2H expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 407003 external link
Packaging
250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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