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3234-85-3 molecular structure
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tetradecyl tetradecanoate

ChemBase ID: 104386
Molecular Formular: C28H56O2
Molecular Mass: 424.74304
Monoisotopic Mass: 424.42803103
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChI:
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey:
DZKXJUASMGQEMA-UHFFFAOYSA-N

Cite this record

CBID:104386 http://www.chembase.cn/molecule-104386.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetradecyl tetradecanoate
IUPAC Traditional name
myristyl myristate
Synonyms
Myristyl Myristate
MYRISTIC ACID MYRISTYL ESTER
CAS Number
3234-85-3
EC Number
221-787-9
PubChem SID
162091642
PubChem CID
18605

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02155755 external link Add to cart Please log in.
Data Source Data ID
PubChem 18605 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.282926  LogD (pH = 7.4) 11.282926 
Log P 11.282926  Molar Refractivity 132.5343 cm3
Polarizability 53.121334 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 26  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C, Desiccate expand Show data source
RTECS
XB8625000 expand Show data source
MSDS Link
Download expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02155755 external link
(Myristyl Myristate) Purity: 99% Crystalline

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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