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1640-89-7 molecular structure
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ethylcyclopentane

ChemBase ID: 111919
Molecular Formular: C7H14
Molecular Mass: 98.18606
Monoisotopic Mass: 98.10955045
SMILES and InChIs

SMILES:
CCC1CCCC1
Canonical SMILES:
CCC1CCCC1
InChI:
InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKey:
IFTRQJLVEBNKJK-UHFFFAOYSA-N

Cite this record

CBID:111919 http://www.chembase.cn/molecule-111919.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethylcyclopentane
IUPAC Traditional name
ethylcyclopentane
Synonyms
ETHYL CYCLOPENTANE
Ethylcyclopentane
乙基环戊烷
CAS Number
1640-89-7
EC Number
216-686-1
MDL Number
MFCD00001389
PubChem SID
162097142
24847002
PubChem CID
15431

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15431 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.954431  LogD (pH = 7.4) 2.954431 
Log P 2.954431  Molar Refractivity 32.1546 cm3
Polarizability 12.929294 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-138 °C(lit.) expand Show data source
-138°C expand Show data source
Boiling Point
103 °C(lit.) expand Show data source
103°C expand Show data source
Flash Point
16 °C expand Show data source
60.8 °F expand Show data source
Auto Ignition Point
500 °F expand Show data source
Density
0.763 g/ml expand Show data source
0.763 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.419(lit.) expand Show data source
Vapor Pressure
72.8 mmHg ( 37.7 °C) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
RTECS
GY4450000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
3295 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
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11 expand Show data source
R:11-18 expand Show data source
Safety Statements
16-29-33 expand Show data source
S:9-16-29 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
6.7 % 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 3295 3/PG 2 expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C5H9C2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221711 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 110752 external link
Packaging
1 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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