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1193-81-3 molecular structure
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1-cyclohexylethan-1-ol

ChemBase ID: 110907
Molecular Formular: C8H16O
Molecular Mass: 128.21204
Monoisotopic Mass: 128.12011513
SMILES and InChIs

SMILES:
CC(O)C1CCCCC1
Canonical SMILES:
CC(C1CCCCC1)O
InChI:
InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKey:
JMSUNAQVHOHLMX-UHFFFAOYSA-N

Cite this record

CBID:110907 http://www.chembase.cn/molecule-110907.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclohexylethan-1-ol
IUPAC Traditional name
cyclohexanemethanol, α-methyl-
Synonyms
α-Methylcyclohexanemethanol
(1-Hydroxyethyl)cyclohexane
1-Cyclohexylethanol
Cyclohexyl methyl carbinol
1-cyclohexylethan-1-ol
1-CYCLOHEXYLETHANOL
α-甲基环己基甲醇
alpha-甲基环己基甲醇
1-环己基乙醇
CAS Number
1193-81-3
EC Number
214-780-7
MDL Number
MFCD00001475
Beilstein Number
2322053
PubChem SID
24846983
162096600
PubChem CID
137829

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.462717  H Acceptors
H Donor LogD (pH = 5.5) 2.0122812 
LogD (pH = 7.4) 2.0122812  Log P 2.0122812 
Molar Refractivity 38.4251 cm3 Polarizability 15.356882 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
188-190°C expand Show data source
189 °C(lit.) expand Show data source
Flash Point
163.4 °F expand Show data source
73 °C expand Show data source
73°C(163°F) expand Show data source
Density
0.92 expand Show data source
0.928 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4650 expand Show data source
n20/D 1.465(lit.) expand Show data source
Hydrophobicity(logP)
2.195 expand Show data source
RTECS
GV5776500 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
21/22 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H311-H227 expand Show data source
GHS Precautionary statements
P210-P301+P310-P361-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CH(C6H11)OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216910 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 110434 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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