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112-15-2 molecular structure
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2-(2-ethoxyethoxy)ethyl acetate

ChemBase ID: 148874
Molecular Formular: C8H16O4
Molecular Mass: 176.21024
Monoisotopic Mass: 176.10485899
SMILES and InChIs

SMILES:
CCOCCOCCOC(=O)C
Canonical SMILES:
CCOCCOCCOC(=O)C
InChI:
InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
InChIKey:
FPZWZCWUIYYYBU-UHFFFAOYSA-N

Cite this record

CBID:148874 http://www.chembase.cn/molecule-148874.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-ethoxyethoxy)ethyl acetate
IUPAC Traditional name
carbitol acetate
Synonyms
2-(2-Ethoxyethoxy)ethyl acetate
DE Acetate
Ethyldiglycol acetate
Diethylene glycol monoethyl ether acetate
乙二醇单乙基乙酸酯
2-(2-乙氧基乙氧基)乙基醋酸酯
DE 醋酸酯
乙基卡必醇醋酸酯
二乙二醇单乙基醚醋酸酯
CAS Number
112-15-2
EC Number
203-940-1
MDL Number
MFCD00041928
Beilstein Number
1764643
Merck Index
141800
PubChem SID
162243046
24878230
24859315
PubChem CID
8165

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8165 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.18540528  LogD (pH = 7.4) 0.18540528 
Log P 0.18540528  Molar Refractivity 44.2484 cm3
Polarizability 17.6748 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-25°C expand Show data source
Boiling Point
218-219 °C(lit.) expand Show data source
218-219°C expand Show data source
Flash Point
208.4 °F expand Show data source
95°C(203°F) expand Show data source
98 °C expand Show data source
Density
1.011 g/mL at 25 °C(lit.) expand Show data source
1.012 expand Show data source
Refractive Index
1.4210 expand Show data source
n20/D 1.421 expand Show data source
n20/D 1.421(lit.) expand Show data source
RTECS
KK8925000 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
3 expand Show data source
Risk Statements
19-36 expand Show data source
36 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
TSCA Listed
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
P280-P264-P305+P351+P338-P337+P313 expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Purity
≥99.0% (GC) expand Show data source
99% expand Show data source
Linear Formula
C2H5OCH2CH2OCH2CH2CO2CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 537527 external link
Packaging
1, 4 L in poly bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 32240 external link
Packaging
1 L in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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