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3637-63-6 molecular structure
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cyclooctylmethanol

ChemBase ID: 112309
Molecular Formular: C9H18O
Molecular Mass: 142.23862
Monoisotopic Mass: 142.1357652
SMILES and InChIs

SMILES:
OCC1CCCCCCC1
Canonical SMILES:
OCC1CCCCCCC1
InChI:
InChI=1S/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2
InChIKey:
ZHPBLHYKDKSZCQ-UHFFFAOYSA-N

Cite this record

CBID:112309 http://www.chembase.cn/molecule-112309.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclooctylmethanol
IUPAC Traditional name
cyclooctylmethanol
Synonyms
CYCLO OCTYL CARBINOL
Cyclooctyl carbinol
Hydroxymethylcyclooctane
Cyclooctanemethanol
环辛醇
CAS Number
3637-63-6
EC Number
222-862-9
MDL Number
MFCD00001749
PubChem SID
162097718
PubChem CID
77196

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 77196 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.681559  H Acceptors
H Donor LogD (pH = 5.5) 2.4848435 
LogD (pH = 7.4) 2.4848435  Log P 2.4848435 
Molar Refractivity 43.2083 cm3 Polarizability 17.201416 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)
Flash Point
93°C(199°F) expand Show data source
Density
0.940 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
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
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05223450 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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