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104-38-1 molecular structure
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2-[4-(2-hydroxyethoxy)phenoxy]ethan-1-ol

ChemBase ID: 149956
Molecular Formular: C10H14O4
Molecular Mass: 198.21576
Monoisotopic Mass: 198.08920893
SMILES and InChIs

SMILES:
c1cc(ccc1OCCO)OCCO
Canonical SMILES:
OCCOc1ccc(cc1)OCCO
InChI:
InChI=1S/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2
InChIKey:
WTPYFJNYAMXZJG-UHFFFAOYSA-N

Cite this record

CBID:149956 http://www.chembase.cn/molecule-149956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(2-hydroxyethoxy)phenoxy]ethan-1-ol
IUPAC Traditional name
2-[4-(2-hydroxyethoxy)phenoxy]ethanol
Synonyms
1,4-Bis(2-hydroxyethoxy)benzene
2,2'-(1,4-Phenylenebis(oxy))diethanol
2,2′-(1,4-Phenylenedioxy)diethanol
Hydroquinone bis(2-hydroxyethyl) ether
氢醌二(2-羟基乙基)醚
2,2′-(1,4-亚苯基双氧)双乙醇
氢醌-双(2-羟乙基醚)
CAS Number
104-38-1
EC Number
203-197-3
MDL Number
MFCD00002861
PubChem SID
24854277
162244118
PubChem CID
66912

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66912 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.801143  H Acceptors
H Donor LogD (pH = 5.5) 0.27769926 
LogD (pH = 7.4) 0.27769923  Log P 0.27769926 
Molar Refractivity 51.569 cm3 Polarizability 20.312117 Å3
Polar Surface Area 58.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
100-102 °C(lit.) expand Show data source
100-102°C expand Show data source
Auto Ignition Point
874 °F expand Show data source
Storage Warning
Hygroscopic expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Linear Formula
C6H4(OCH2CH2OH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 237914 external link
Packaging
1 kg in poly bottle
100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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