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23238-41-7 molecular structure
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2-[2-(dodecyloxy)ethoxy]ethan-1-ol

ChemBase ID: 137704
Molecular Formular: C16H34O3
Molecular Mass: 274.43936
Monoisotopic Mass: 274.25079495
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCCCOCCOCCO
InChI:
InChI=1S/C16H34O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h17H,2-16H2,1H3
InChIKey:
AZLWQVJVINEILY-UHFFFAOYSA-N

Cite this record

CBID:137704 http://www.chembase.cn/molecule-137704.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(dodecyloxy)ethoxy]ethan-1-ol
IUPAC Traditional name
2-[2-(dodecyloxy)ethoxy]ethanol
Synonyms
C12E2
2-(2-Dodecyloxyethoxy)ethanol
Dodecyldiglycol
Diethylene glycol monododecyl ether
2-(2-Decyloxyethoxy)ethanol
C10E2
Decyldiglycol
Diethylene glycol monodecyl ether
二甘醇单十二烷基醚
十二烷基二乙二醇醚
二乙二醇单十二醚
CAS Number
23238-41-7
3055-93-4
EC Number
221-279-7
MDL Number
MFCD00042658
Beilstein Number
2351134
1765704
PubChem SID
24859333
162231966
PubChem CID
76457

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76457 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) 4.26792 
LogD (pH = 7.4) 4.26792  Log P 4.26792 
Molar Refractivity 81.0299 cm3 Polarizability 32.201145 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
165 °C(lit.) expand Show data source
Boiling Point
168-169 °C/0.8 mmHg(lit.) expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
0.904 g/mL at 25 °C(lit.) expand Show data source
0.911 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.445 expand Show data source
n20/D 1.448(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
3082 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
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 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
RID/ADR
UN 3082 9/PG 3 expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% 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)2OH expand Show data source
CH3(CH2)9(OCH2CH2)2OH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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