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Molecule
ID:79663
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2
InChIKey
SXOZDDAFVJANJP-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCCCCC1
Isomeric Smiles
O=C1CCCCCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.266469
LogD (pH = 7.4)
3.266469
Log P
3.266469
Molar Refractivity
46.6514
Polarizability
18.4969
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Related Proteins
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Molecular Spectra
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Molecule Details
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General Information
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
PubChem
73918
Commercial Catalog
Apollo Scientific
OR22154
Sigma Aldrich
C96605
C3510
28698
Names and Identifiers
Synonyms
Cyclodecan-1-one
环癸酮
Cyclodecanone
IUPAC name
cyclodecanone
IUPAC Traditional name
cyclodecanone
Registration numbers
Beilstein Number
1617127
CAS Number
1502-06-3
PubChem SID
162044426
24893185
EC Number
216-119-8
MDL Number
MFCD00003713
PubChem CID
73918
Properties
Safety Information
GHS Precautionary statements
P305+P351+P338
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
European Hazard Symbols
Irritant (Xi)
Source
Safety Statements
26
Source
GHS Signal Word
Warning
Source
MSDS Link
Download link
Source
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Source
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Source
German water hazard class
3
Source
GHS Hazard statements
H319
Source
Risk Statements
36
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Storage Temperature
2-8°C
Source
Physical Property
Melting Point
21-24 °C(lit.)
Source
Refractive Index
n20/D 1.482(lit.)
Source
n20/D 1.484
Source
Density
0.958 g/mL at 25 °C(lit.)
Source
Boiling Point
106-107 °C/12 mmHg(lit.)
Source
Flash Point
98 °C
Source
208 °F
Source
Product Information
Purity
97%
Source
≥98.0% (GC)
Source
Linear Formula
C10H18(=O)
Source
Grade
purum
Source
Molecule Details
Sigma Aldrich
C96605
Packaging
5 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
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Beilstein Number
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CAS Number
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EC Number
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PubChem CID