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1518-83-8 molecular structure
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4-cyclopentylphenol

ChemBase ID: 150358
Molecular Formular: C11H14O
Molecular Mass: 162.22826
Monoisotopic Mass: 162.10446507
SMILES and InChIs

SMILES:
c1cc(ccc1C1CCCC1)O
Canonical SMILES:
Oc1ccc(cc1)C1CCCC1
InChI:
InChI=1S/C11H14O/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,12H,1-4H2
InChIKey:
SNBKPVVDUBFDEJ-UHFFFAOYSA-N

Cite this record

CBID:150358 http://www.chembase.cn/molecule-150358.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclopentylphenol
IUPAC Traditional name
4-cyclopentylphenol
Synonyms
4-Cyclopentylphenol
4-环戊基苯酚
CAS Number
1518-83-8
MDL Number
MFCD00009953
PubChem SID
162244519
24854832
PubChem CID
15202

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
246875 external link Add to cart Please log in.
Data Source Data ID
PubChem 15202 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.256832  H Acceptors
H Donor LogD (pH = 5.5) 3.3400936 
LogD (pH = 7.4) 3.339501  Log P 3.340101 
Molar Refractivity 49.6295 cm3 Polarizability 19.347528 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
64-66 °C(lit.) expand Show data source
Boiling Point
155 °C/12 mmHg(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
C5H9C6H4OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 246875 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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