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7778-85-0 molecular structure
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1,2-dimethoxypropane

ChemBase ID: 151227
Molecular Formular: C5H12O2
Molecular Mass: 104.14758
Monoisotopic Mass: 104.08372962
SMILES and InChIs

SMILES:
CC(COC)OC
Canonical SMILES:
COCC(OC)C
InChI:
InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
InChIKey:
LEEANUDEDHYDTG-UHFFFAOYSA-N

Cite this record

CBID:151227 http://www.chembase.cn/molecule-151227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethoxypropane
IUPAC Traditional name
1,2-dimethoxypropane
Synonyms
Propylene glycol dimethyl ether
1,2-Dimethoxypropane
丙二醇二甲醚
1,2-二甲氧基丙烷
CAS Number
7778-85-0
EC Number
404-630-0
MDL Number
MFCD00010331
PubChem SID
24856985
162245383
PubChem CID
24509

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
281603 external link Add to cart Please log in.
Data Source Data ID
PubChem 24509 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.49414894  LogD (pH = 7.4) 0.49414894 
Log P 0.49414894  Molar Refractivity 28.4748 cm3
Polarizability 11.331112 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
96 °C(lit.) expand Show data source
Flash Point
1 °C expand Show data source
33.8 °F expand Show data source
Density
0.855 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.3835(lit.) expand Show data source
Vapor Pressure
40 mmHg ( 20 °C) expand Show data source
RTECS
TY1145000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
3271 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-19 expand Show data source
Safety Statements
9-16-24/25-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 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
RID/ADR
UN 3271 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Purity
≥99% expand Show data source
Linear Formula
CH3CH(OCH3)CH2OCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 281603 external link
Packaging
5 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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