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2433-97-8 molecular structure
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methyl tricosanoate

ChemBase ID: 104733
Molecular Formular: C24H48O2
Molecular Mass: 368.63672
Monoisotopic Mass: 368.36543078
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI:
InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3
InChIKey:
VORKGRIRMPBCCZ-UHFFFAOYSA-N

Cite this record

CBID:104733 http://www.chembase.cn/molecule-104733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl tricosanoate
IUPAC Traditional name
methyl tricosanoate
Synonyms
Methyl tricosanoate
TRICOSANOIC ACID METHYL ESTER
Tricosanoic acid methyl ester
Methyl tricosanoate
二十三酸甲酯
二十三烷酸甲酯
CAS Number
2433-97-8
EC Number
219-420-2
MDL Number
MFCD00009349
Beilstein Number
1796627
PubChem SID
24900613
24889486
162091698
PubChem CID
75519

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75519 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.514458  LogD (pH = 7.4) 9.514458 
Log P 9.514458  Molar Refractivity 114.0597 cm3
Polarizability 45.73688 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 22  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
light yellow crystalline expand Show data source
Melting Point
53-56 °C expand Show data source
53-56 °C(lit.) expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Storage Condition
Room Temperature (15-30°C) 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
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
>90% expand Show data source
≥97.0% (GC) expand Show data source
≥99.0% (GC) expand Show data source
90-95% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)21COOCH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02156992 external link
Purity: >90%
Light yellow crystals.
Sigma Aldrich - T9900 external link
Packaging
1, 5 g in poly bottle
100, 500 mg in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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