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3637-61-4 molecular structure
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cyclopentylmethanol

ChemBase ID: 69764
Molecular Formular: C6H12O
Molecular Mass: 100.15888
Monoisotopic Mass: 100.088815
SMILES and InChIs

SMILES:
C1(CCCC1)CO
Canonical SMILES:
OCC1CCCC1
InChI:
InChI=1S/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5H2
InChIKey:
ISQVBYGGNVVVHB-UHFFFAOYSA-N

Cite this record

CBID:69764 http://www.chembase.cn/molecule-69764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopentylmethanol
IUPAC Traditional name
cyclopentanemethanol
Synonyms
Cyclopentylmethanol
Cyclopentylcarbinol
(Hydroxymethyl)cyclopentane
(Hydroxymethyl)cyclopentane
Cyclopentyl carbinol
Cyclopentanemethanol
cyclopentylmethanol
Cyclopentanemethanol
环戊烷甲醇
(羟甲基)环戊烷
环戊基甲醇
环戊甲醇
CAS Number
3637-61-4
EC Number
222-861-3
MDL Number
MFCD00001384
Beilstein Number
1919000
PubChem SID
24846632
162035489
PubChem CID
77195

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.638254  H Acceptors
H Donor LogD (pH = 5.5) 1.1511375 
LogD (pH = 7.4) 1.1511376  Log P 1.1511376 
Molar Refractivity 29.4053 cm3 Polarizability 11.669966 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)
Boiling Point
162-163 °C(lit.) expand Show data source
162-163°C expand Show data source
162-163°C expand Show data source
Flash Point
143.6 °F expand Show data source
62 °C expand Show data source
62°C expand Show data source
62°C(143°F) expand Show data source
Density
0.925 expand Show data source
0.926 expand Show data source
0.926 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4580 expand Show data source
n20/D 1.458(lit.) expand Show data source
Hydrophobicity(logP)
1.327 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Linear Formula
C5H9CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 103985 external link
Packaging
5, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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