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1559-35-9 molecular structure
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2-[(2-ethylhexyl)oxy]ethan-1-ol

ChemBase ID: 146910
Molecular Formular: C10H22O2
Molecular Mass: 174.28048
Monoisotopic Mass: 174.16197994
SMILES and InChIs

SMILES:
CCCCC(CC)COCCO
Canonical SMILES:
CCCCC(COCCO)CC
InChI:
InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3
InChIKey:
OHJYHAOODFPJOD-UHFFFAOYSA-N

Cite this record

CBID:146910 http://www.chembase.cn/molecule-146910.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2-ethylhexyl)oxy]ethan-1-ol
IUPAC Traditional name
2-[(2-ethylhexyl)oxy]ethanol
Synonyms
Ethylene glycol 2-ethylhexyl ether
2-(2-Ethylhexyloxy)ethanol
EEH Solvent
乙二醇单-2-乙基己基醚
2-[(2-乙己基)氧]-乙醇
2-[(2-乙己基)氧]-乙醇
CAS Number
1559-35-9
EC Number
216-323-7
MDL Number
MFCD00020602
PubChem SID
24871222
24878316
162241102
PubChem CID
15260

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15260 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121301  H Acceptors
H Donor LogD (pH = 5.5) 2.4570253 
LogD (pH = 7.4) 2.4570253  Log P 2.4570253 
Molar Refractivity 51.453 cm3 Polarizability 20.458063 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)
Boiling Point
229 °C(lit.) expand Show data source
Flash Point
109 °C expand Show data source
228.2 °F expand Show data source
Density
0.892 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) expand Show data source
RTECS
KK9625000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) 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
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
21-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H312-H314 expand Show data source
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
82% expand Show data source
97% expand Show data source
Grade
reagent grade expand Show data source
Linear Formula
CH3(CH2)3CH(C2H5)CH2OCH2CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 476226 external link
Packaging
1 L in glass bottle
Sigma Aldrich - 538272 external link
Packaging
20 L in poly drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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