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103-75-3 molecular structure
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2-ethoxy-3,4-dihydro-2H-pyran

ChemBase ID: 122865
Molecular Formular: C7H12O2
Molecular Mass: 128.16898
Monoisotopic Mass: 128.08372962
SMILES and InChIs

SMILES:
O1C=CCCC1OCC
Canonical SMILES:
CCOC1CCC=CO1
InChI:
InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3
InChIKey:
VZJFPIXCMVSTID-UHFFFAOYSA-N

Cite this record

CBID:122865 http://www.chembase.cn/molecule-122865.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethoxy-3,4-dihydro-2H-pyran
IUPAC Traditional name
ethoxydihydropyran
Synonyms
3,4-Dihydro-2-ethoxy-2H-pyran
2-ethoxy-3,4-dihydro-2H-pyran
2-乙氧基-3,4-二氢吡喃
CAS Number
103-75-3
EC Number
203-141-8
MDL Number
MFCD00006561
PubChem SID
162217218
PubChem CID
7676

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7676 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3939036  LogD (pH = 7.4) 1.3939036 
Log P 1.3939036  Molar Refractivity 35.8877 cm3
Polarizability 14.03853 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
42 °C/16 mmHg(lit.) expand Show data source
Flash Point
24 °C expand Show data source
75.2 °F expand Show data source
Density
0.957 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.439(lit.) expand Show data source
RTECS
UP8925000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
3271 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-36/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319 expand Show data source
GHS Precautionary statements
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
RID/ADR
UN 3271 3/PG 3 expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C7H12O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 159743 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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