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628-97-7 molecular structure
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ethyl hexadecanoate

ChemBase ID: 90525
Molecular Formular: C18H36O2
Molecular Mass: 284.47724
Monoisotopic Mass: 284.27153039
SMILES and InChIs

SMILES:
O(CC)C(=O)CCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)OCC
InChI:
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
InChIKey:
XIRNKXNNONJFQO-UHFFFAOYSA-N

Cite this record

CBID:90525 http://www.chembase.cn/molecule-90525.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl hexadecanoate
IUPAC Traditional name
ethyl palmitate
Synonyms
Ethyl palmitate
Hexadecanoic Acid Ethyl Ester
NSC 8918
Ethyl hexadecanoate
Palmitic acid ethyl ester
Ethyl palmitate
PALMITIC ACID ETHYL ESTER
Ethyl palmitate
十六酸乙酯
棕榈酸乙基酯
棕榈酸乙酯
CAS Number
628-97-7
105-37-3
EC Number
211-064-6
MDL Number
MFCD00008996
Beilstein Number
1782663
PubChem SID
162077322
24899002
24886943
24901097
PubChem CID
12366
FEMA ID
2451
Council of Europe Number
634
Flavis Number
9.193

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.759285  LogD (pH = 7.4) 6.759285 
Log P 6.759285  Molar Refractivity 86.6013 cm3
Polarizability 34.66299 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Off-White Low Melting Solid expand Show data source
Melting Point
22-26°C expand Show data source
24-26 °C(lit.) expand Show data source
26-28°C expand Show data source
Boiling Point
192-193 °C/10 mmHg(lit.) expand Show data source
192-193°C/10mm expand Show data source
192-193°C/10mm expand Show data source
Flash Point
>110°C expand Show data source
>113 °C expand Show data source
>235.4 °F expand Show data source
178°C(352°F) expand Show data source
Density
0.857 expand Show data source
0.857 g/mL at 25 °C(lit.) expand Show data source
0.87 g/ml expand Show data source
Refractive Index
1.4395 expand Show data source
n20/D 1.440 expand Show data source
n20/D 1.440(lit.) expand Show data source
Organoleptic
waxy expand Show data source
Storage Condition
0°C expand Show data source
Refrigerator expand Show data source
Storage Warning
Irritant 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
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥95% expand Show data source
≥95.0% (GC) expand Show data source
≥99% expand Show data source
95+% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Linear Formula
CH3(CH2)14COOC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05210190 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02156037 external link
Purity: 99%
1 ml = approx. 0.87 g
Sigma Aldrich - P9009 external link
包装
5, 25 g in glass bottle
Sigma Aldrich - W245100 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
250 g in glass bottle
5, 10 kg in poly drum
Toronto Research Chemicals - E925480 external link
A fatty acid found in Amaranth oil; it shows inhibitory activity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Fidler, N., et al.: J. Lipid Res., 41, 1376 (2000)
  • • Yang, T., et al.: Food Chem., 80, 473 (2000)
  • • Gamel, T., et al.: J. Food Lipids, 14, 323 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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