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3055-94-5 molecular structure
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2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol

ChemBase ID: 130958
Molecular Formular: C18H38O4
Molecular Mass: 318.49192
Monoisotopic Mass: 318.2770097
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCCCOCCOCCOCCO
InChI:
InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3
InChIKey:
FKMHSNTVILORFA-UHFFFAOYSA-N

Cite this record

CBID:130958 http://www.chembase.cn/molecule-130958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol
IUPAC Traditional name
2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethanol
Synonyms
C12E3
Dodecyl triethylene glycol ether
Dodecyltriglycol
Polyoxyethylene (3) lauryl ether
Triethylene glycol monododecyl ether
Detergent Screening Solution 11/Fluka kit no 66317
Triethyleneglycol monododecyl ether solution
Triethyleneglycol monododecyl ether 1 mM solution
CAS Number
3055-94-5
EC Number
221-280-2
231-791-2
MDL Number
MFCD00042659
Beilstein Number
1779029
PubChem SID
24898946
24846122
162225236
PubChem CID
76458

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76458 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) 4.220945 
LogD (pH = 7.4) 4.220945  Log P 4.220945 
Molar Refractivity 92.0734 cm3 Polarizability 36.57614 Å3
Polar Surface Area 47.92 Å2 Rotatable Bonds 19 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
0.927 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.451 expand Show data source
RTECS
KK7870000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
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
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (GC) expand Show data source
≥98.0% (GC) expand Show data source
Description
non-ionic expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤50 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤50 mg/kg expand Show data source
Mn: ≤50 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Linear Formula
CH3(CH2)11(OCH2CH2)3OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 90447 external link
Other Notes
Non-ionic surfactant. In studies of membrane lipid composition in Acholeplasma laidlawii1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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