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2461-15-6 molecular structure
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2-{[(2-ethylhexyl)oxy]methyl}oxirane

ChemBase ID: 149395
Molecular Formular: C11H22O2
Molecular Mass: 186.29118
Monoisotopic Mass: 186.16197994
SMILES and InChIs

SMILES:
CCCCC(CC)COCC1CO1
Canonical SMILES:
CCCCC(COCC1CO1)CC
InChI:
InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
InChIKey:
BBBUAWSVILPJLL-UHFFFAOYSA-N

Cite this record

CBID:149395 http://www.chembase.cn/molecule-149395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(2-ethylhexyl)oxy]methyl}oxirane
IUPAC Traditional name
2-{[(2-ethylhexyl)oxy]methyl}oxirane
Synonyms
2-Ethylhexyl glycidyl ether
辛基缩水甘油醚
CAS Number
2461-15-6
EC Number
219-553-6
MDL Number
MFCD00005141
PubChem SID
24855155
162243560
PubChem CID
17162

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
251747 external link Add to cart Please log in.
Data Source Data ID
PubChem 17162 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9883938  LogD (pH = 7.4) 2.9883938 
Log P 2.9883938  Molar Refractivity 53.9054 cm3
Polarizability 21.643587 Å3 Polar Surface Area 21.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
60-62 °C/0.3 mmHg(lit.) expand Show data source
Flash Point
206.6 °F expand Show data source
97 °C expand Show data source
Density
0.891 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.434(lit.) expand Show data source
RTECS
TZ3300000 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
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-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
98% expand Show data source
Empirical Formula (Hill Notation)
C11H22O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 251747 external link
Packaging
1 L in glass bottle
250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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