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555-44-2 molecular structure
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1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate

ChemBase ID: 130481
Molecular Formular: C51H98O6
Molecular Mass: 807.32022
Monoisotopic Mass: 806.73634086
SMILES and InChIs

SMILES:
O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChI:
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey:
PVNIQBQSYATKKL-UHFFFAOYSA-N

Cite this record

CBID:130481 http://www.chembase.cn/molecule-130481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate
IUPAC Traditional name
tripalmitin
Synonyms
Palmitin
Glycerol tripalmitate
Glycerin tripalmitate
Glyceryl tripalmitate
Palmitic triglyceride
Tripalmitoyl glycerol
Tripalmitin
Tripalmitin
Glyceryl tripalmitate
Glycerol tripalmitate
Glyceryl Trihexadecanoate
1,1,1-13C-Tripalmitin
Propane-1,2,3-triyl tripalmitate
三棕榈酸甘油酯
CAS Number
555-44-2
EC Number
209-098-1
MDL Number
MFCD00008995
Beilstein Number
1811188
PubChem SID
24900325
162224760
24900503
PubChem CID
11147
Chemspider ID
10674
Wikipedia Title
Tripalmitin

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 18.924149  LogD (pH = 7.4) 18.924149 
Log P 18.924149  Molar Refractivity 241.2903 cm3
Polarizability 96.9837 Å3 Polar Surface Area 78.9 Å2
Rotatable Bonds 50  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
58-65 °C expand Show data source
60-64°C expand Show data source
63-64°C expand Show data source
66-68 °C expand Show data source
67.4°C expand Show data source
RTECS
RT4953500 expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
nwg 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
~95% C16 basis (GC) expand Show data source
≥85% expand Show data source
≥99% expand Show data source
≥99.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[CH3(CH2)14COOCH2]2CHOCO(CH2)14CH3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T5888 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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