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2425-79-8 molecular structure
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2-{[4-(oxiran-2-ylmethoxy)butoxy]methyl}oxirane

ChemBase ID: 130985
Molecular Formular: C10H18O4
Molecular Mass: 202.24752
Monoisotopic Mass: 202.12050906
SMILES and InChIs

SMILES:
C1C(O1)COCCCCOCC1CO1
Canonical SMILES:
C(COCC1OC1)CCOCC1OC1
InChI:
InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
InChIKey:
SHKUUQIDMUMQQK-UHFFFAOYSA-N

Cite this record

CBID:130985 http://www.chembase.cn/molecule-130985.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[4-(oxiran-2-ylmethoxy)butoxy]methyl}oxirane
IUPAC Traditional name
2-{[4-(oxiran-2-ylmethoxy)butoxy]methyl}oxirane
Synonyms
1,4-Butanediol diglycidyl ether
Tetramethylene glycol diglycidyl ether
Araldite® RD-2
1,4-Butanediyl diglycidyl ether
1,4-丁二醇二缩水甘油醚
1,4-丁二基二缩水甘油醚
CAS Number
2425-79-8
EC Number
219-371-7
MDL Number
MFCD00005146
Beilstein Number
115238
PubChem SID
24847603
24851413
24853198
162225263
PubChem CID
17046

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17046 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.33742958  LogD (pH = 7.4) 0.33742958 
Log P 0.33742958  Molar Refractivity 51.0554 cm3
Polarizability 20.514818 Å3 Polar Surface Area 40.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
155-160 °C/11 mmHg expand Show data source
157-158°C/11mm expand Show data source
266 °C(lit.) expand Show data source
Flash Point
110 °C expand Show data source
140°C(284°F) expand Show data source
230 °F expand Show data source
Density
1.049 expand Show data source
1.05 g/mL(lit.) expand Show data source
1.1 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4550 expand Show data source
n20/D 1.453 expand Show data source
n20/D 1.453(lit.) expand Show data source
Vapor Pressure
~10 mmHg ( 20 °C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
EJ5100000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
20/21-36/38-43 expand Show data source
Safety Statements
2-26-28-37/39 expand Show data source
26-28-37/39 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
H312-H315-H317-H319-H332 expand Show data source
H312-H332-H315-H319-H317 expand Show data source
GHS Precautionary statements
P261-P280-P305+P351+P338-P302+P352-P321-P501A expand Show data source
P280-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
Purity
≥95% expand Show data source
≥95.0% (GC) expand Show data source
60% expand Show data source
96% expand Show data source
Grade
purum expand Show data source
technical grade expand Show data source
Empirical Formula (Hill Notation)
C10H18O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B7381 external link
法律信息
Araldite 注册商标 Huntsman Advanced Materials Inc.
Sigma Aldrich - 124192 external link
Packaging
100, 500 g in poly bottle
Sigma Aldrich - 220892 external link
Packaging
10, 50 g in glass bottle
250 g in poly bottle
Sigma Aldrich - 19005 external link
Legal Information
Araldite is a registered trademark of Huntsman Advanced Materials Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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