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22610-63-5 molecular structure
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2,3-dihydroxypropyl octadecanoate

ChemBase ID: 105958
Molecular Formular: C21H42O4
Molecular Mass: 358.55578
Monoisotopic Mass: 358.30830982
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI:
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
InChIKey:
VBICKXHEKHSIBG-UHFFFAOYSA-N

Cite this record

CBID:105958 http://www.chembase.cn/molecule-105958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydroxypropyl octadecanoate
IUPAC Traditional name
glyceryl stearate
Synonyms
1-Monooctadecanoyl-rac-glycerol
rac-Glycerol 1-stearate
DL-α-Stearin
1-Stearoyl-rac-glycerol
GLYCERYL MONOSTEARATE
Glycerol monostearate, purified
Glyceryl monostearate
Glycerin monostearate
GMS
Glycerol monostearate
Monostearin
1-MONOSTEAROYL-rac-GLYCEROL
单硬脂酸甘油酯, 精制
CAS Number
22610-63-5
31566-31-1
123-94-4
EC Number
250-705-4
204-664-4
MDL Number
MFCD00036186
Beilstein Number
1728685
Merck Index
144489
PubChem SID
162094221
24888428
24896595
PubChem CID
24699
CHEMBL
255696
Chemspider ID
23095
KEGG ID
D01947
Wikipedia Title
Glycerol_monostearate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.619246  H Acceptors
H Donor LogD (pH = 5.5) 5.971177 
LogD (pH = 7.4) 5.971177  Log P 5.971177 
Molar Refractivity 103.3095 cm3 Polarizability 41.40864 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds 20 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in hot ethanol, diethyl ether, benzene, acetone, mineral or fixed oils, insoluble in water expand Show data source
Soluble in hot organic solvents expand Show data source
Apperance
Powder expand Show data source
white, yellowish expand Show data source
Melting Point
56°C expand Show data source
58 - 59°C (136.4 - 138.2°F) expand Show data source
78-81 °C expand Show data source
Boiling Point
238 - 240°C (460.4 - 464°F) expand Show data source
238°C expand Show data source
Flash Point
230°C (446°F) (open cup) expand Show data source
Density
0.97 expand Show data source
0.98 g/ml expand Show data source
Storage Condition
-20°C, Store Under Nitrogen expand Show data source
RTECS
RG1925000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
~99% expand Show data source
≥99% expand Show data source
≥99.0% (TLC) expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3(CH2)16COOCH2CH(OH)CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 02195334 external link
Purity: ~99%
Monoglyceride Lipid

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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