Undecanoic acid- ethyl ester

Undecanoic acid- ethyl ester
Compound Structure:
Synonyms: ETHYL UNDECANOATE; 627-90-7 ;Undecanoic acid, ethyl ester; Ethyl undecylate ;Undecanoic acid ethyl ester
Compound ID: NMPC-1580
PubChem ID:

12327
Molecular Formula: C13H26O2
Canonical SMILES: CCCCCCCCCCC(=O)OCC
InChIKey: IAFQYUQIAOWKSB-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 136 of 136 companies. For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

214.34 g/mol

XLogP3-AA

5.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

11

Exact Mass

214.193280068 g/mol

Monoisotopic Mass

214.193280068 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

144

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Liquid

Boiling Point

105.00 °C. @ 4.00 mm Hg

Melting Point

-15 °C

Density

0.87

Solubility 

Soluble in ethanol and oils, insoluble in water

Source:PubChem
Source Species:
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