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3524-75-2 molecular structure
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prop-2-en-1-ylcyclopentane

ChemBase ID: 125694
Molecular Formular: C8H14
Molecular Mass: 110.19676
Monoisotopic Mass: 110.10955045
SMILES and InChIs

SMILES:
C=CCC1CCCC1
Canonical SMILES:
C=CCC1CCCC1
InChI:
InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2
InChIKey:
NHIDGVQVYHCGEK-UHFFFAOYSA-N

Cite this record

CBID:125694 http://www.chembase.cn/molecule-125694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
prop-2-en-1-ylcyclopentane
IUPAC Traditional name
cyclopentane, 2-propenyl-
Synonyms
2-propenylcyclopentane
2-propen-1-ylcyclopentane
3-cyclopentyl-1-propene
Allylcyclopentane
Allylcyclopentane
丙稀基环戊烷
烯丙基环戊烷
CAS Number
3524-75-2
EC Number
222-542-9
MDL Number
MFCD00001390
Beilstein Number
2036419
4-05-00-00272
PubChem SID
162220044
24884606
PubChem CID
77059
Chemspider ID
69505
Gmelin ID
2036419
Wikipedia Title
Allylcyclopentane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0950117  LogD (pH = 7.4) 3.0950117 
Log P 3.0950117  Molar Refractivity 36.7997 cm3
Polarizability 14.547113 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)
Solubility
chloroform expand Show data source
Apperance
Colourless liquid expand Show data source
Melting Point
−111 °C expand Show data source
-111°C expand Show data source
Boiling Point
125-127 °C/750 mmHg expand Show data source
125-127°C expand Show data source
127 °C expand Show data source
Flash Point
12°C(53°F) expand Show data source
13 °C expand Show data source
13.9 °C – closed cup expand Show data source
55.4 °F expand Show data source
Density
0.792 g/mL at 25 °C expand Show data source
0.793 expand Show data source
0.793 g cm−3 expand Show data source
Refractive Index
1.4410 expand Show data source
1.4412 expand Show data source
n20/D 1.440 expand Show data source
Vapor Pressure
14.5 mmHg (at 25 °C) expand Show data source
Partition Coefficient
3.569 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1992 expand Show data source
UN3295 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
2 expand Show data source
II expand Show data source
Risk Statements
11 expand Show data source
11-20/21/22 expand Show data source
R11, R20/21/22 expand Show data source
Safety Statements
7-33-60 expand Show data source
7-9-16-29-33 expand Show data source
S7, S9, S16, S29, S33 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Highly flammable.
Harmful by inhalation, in contact with skin and if swallowed.
expand Show data source
GHS Hazard statements
H225 expand Show data source
H225-H302-H312-H332 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
P210-P280 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 1992 3/PG 2 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C8H14 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 662852 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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