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6114-18-7 molecular structure
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ethyl octadec-9-enoate

ChemBase ID: 103434
Molecular Formular: C20H38O2
Molecular Mass: 310.51452
Monoisotopic Mass: 310.28718046
SMILES and InChIs

SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OCC
Canonical SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OCC
InChI:
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3
InChIKey:
LVGKNOAMLMIIKO-UHFFFAOYSA-N

Cite this record

CBID:103434 http://www.chembase.cn/molecule-103434.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl octadec-9-enoate
ethyl (9E)-octadec-9-enoate
IUPAC Traditional name
ethyl 9-octadecenoate, (Z)-
(Z)-ethyl 9-octadecenoate
ethyl oleate
Synonyms
Ethylis oleas
Ethyl oleate
ETHYL OLEATE TECHNICAL GRADE
Oleic acid ethyl ester
Ethyl oleate
Ethyl oleate
OLEIC ACID ETHYL ESTER
ELAIDIC ACID ETHYL ESTER
Elaidic acid ethyl ester
油酸乙酯
十八烯酸乙酯
油酸乙酯
CAS Number
6114-18-7
111-62-6
EC Number
203-889-5
228-082-5
MDL Number
MFCD00009579
MFCD00065147
Beilstein Number
1727318
PubChem SID
24859095
24886791
24856257
24886790
162091308
24894672
PubChem CID
5364430
5363269
Chemspider ID
4515636
KEGG ID
D04090
Unique Ingredient Identifier
Z2Z439864Y
Wikipedia Title
Ethyl_oleate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.2865005  LogD (pH = 7.4) 7.2865005 
Log P 7.2865005  Molar Refractivity 96.9199 cm3
Polarizability 38.117664 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 17  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
Apperance
Colorless to light yellow liquid expand Show data source
liquid expand Show data source
Melting Point
-32 °C(lit.) expand Show data source
-32°C expand Show data source
Boiling Point
205-208 °C/760 mmHg expand Show data source
205-208°C expand Show data source
210°C expand Show data source
216-218 °C/15 mmHg expand Show data source
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Density
0.86 g/ml expand Show data source
0.87 g/cm3 expand Show data source
0.87 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.451 expand Show data source
n20/D 1.451(lit.) expand Show data source
Storage Condition
0°C, Protect from light expand Show data source
RTECS
RG3715000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
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German water hazard class
2 expand Show data source
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
~60% (GC) expand Show data source
70% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
Ph Eur expand Show data source
TECHNICAL expand Show data source
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
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Linear Formula
CH3(CH2)7CH=CH(CH2)7COOC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212171 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02151782 external link
Purity: 99%
1 ml = approx. 0.86 g
Sigma Aldrich - E8377 external link
包装
Sealed ampule.
Sigma Aldrich - 268011 external link
Packaging
25 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 317675 external link
Packaging
1 kg in glass bottle
250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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