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142-29-0 molecular structure
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142-29-0 molecular structure
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cyclopentene

ChemBase ID: 74485
Molecular Formular: C5H8
Molecular Mass: 68.11702
Monoisotopic Mass: 68.06260026
SMILES and InChIs

SMILES:
 C1=CCCC1
Canonical SMILES:
 C1CC=CC1
InChI:
 InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
InChIKey:
 LPIQUOYDBNQMRZ-UHFFFAOYSA-N

Cite this record

CBID:74485 http://www.chembase.cn/molecule-74485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopentene
IUPAC Traditional name
cyclopentene
Synonyms
Cyclopentene
Cyclopentene
环戊烯
CAS Number
142-29-0
EC Number
205-532-9
MDL Number
MFCD00001394
Beilstein Number
635707
PubChem SID
24861258
24857967
162039404
PubChem CID
8882
CHEBI ID
49155
CHEMBL
1797299
Chemspider ID
8544
Wikipedia Title
Cyclopentene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 344508 external link Add to cart 29821 external link Add to cart
MP Biomedicals 05209116 external link Add to cart
Alfa Aesar A11027 external link Add to cart 41461 external link Add to cart
Apollo Scientific OR10096 external link Add to cart
Wikipedia Cyclopentene external link
PubChem 8882 external link
Data Source Data ID Price
Sigma Aldrich
344508 external link Add to cart Please log in.
29821 external link Add to cart Please log in.
MP Biomedicals
05209116 external link Add to cart Please log in.
Alfa Aesar
A11027 external link Add to cart Please log in.
41461 external link Add to cart Please log in.
Apollo Scientific
OR10096 external link Add to cart Please log in.
Data Source Data ID
Wikipedia Cyclopentene external link
PubChem 8882 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 1.8609216  LogD (pH = 7.4) 1.8609216 
Log P 1.8609216  Molar Refractivity 24.1216 cm3
Polarizability 9.006579 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 0  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
-135 °C expand Show data source
-135 °C(lit.) expand Show data source
-135°C expand Show data source
Boiling Point
44-45°C expand Show data source
44-45°C expand Show data source
44-46 °C expand Show data source
44-46 °C(lit.) expand Show data source
Flash Point
-29 °C expand Show data source
-29°C expand Show data source
-29.2 °F expand Show data source
-29°C(-20°F) expand Show data source
-34 °C expand Show data source
Auto Ignition Point
743 °F expand Show data source
Density
0.771 g/cm3 expand Show data source
0.771 g/mL at 25 °C(lit.) expand Show data source
0.772 expand Show data source
0.773 expand Show data source
Refractive Index
1.4225 expand Show data source
n20/D 1.421 expand Show data source
n20/D 1.421(lit.) expand Show data source
Vapor Pressure
20.89 psi ( 55 °C) expand Show data source
6.11 psi ( 20 °C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
Highly Flammable/Harmful/Keep Cold expand Show data source
RTECS
GY5950000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2246 expand Show data source
UN2246 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
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-21/22-36/37/38-65 expand Show data source
11-21/22-52/53-65-67 expand Show data source
R:10-27 expand Show data source
Safety Statements
9-16-26-33-36-62 expand Show data source
9-16-33-36/37-61-62 expand Show data source
S:16-36/37/39 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
3
1
1
 expand Show data source
GHS Hazard statements
H225-H302 + H312-H304-H315-H319-H335 expand Show data source
H225-H302-H304-H312-H315-H319-H335 expand Show data source
H225-H304-H302-H312-H336-H402-H412 expand Show data source
GHS Precautionary statements
P210-P261-P280-P301 + P310-P305 + P351 + P338-P331 expand Show data source
P210-P280H-P273-P301+P330+P331-P315-P403 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2246 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
96% expand Show data source
97% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Contains
~0.01% 2,6-di-tert-butyl-4-methylphenol as stabilizer expand Show data source
Empirical Formula (Hill Notation)
C5H8 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209116 external link
MP Biomedicals Rare Chemical collection
Wikipedia.org - Cyclopentene external link
Sigma Aldrich - 344508 external link
Packaging
100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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