Ethyl-9,12,15-octadecatrienoate

Ethyl-9,12,15-octadecatrienoate
Compound Structure:
Synonyms: cis-9,cis-12,cis-15 Octadecadienoic acid ethyl ester; Ethyl (9E,12E,15E)-octadeca-9,12,15-trienoate; Ethyl linilenate; Ethyl linolenoate; Ethyl octadeca-9,12,15-trienoate; Ethyl-9,12,15-octadecatrienoate; trans,trans,trans-octadeca-9,12,15-trienoic acid e
Compound ID: NMPC-1035
PubChem ID:

6371716

Molecular Formula: C20H34O2
Canonical SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OCC
InChIKey: JYYFMIOPGOFNPK-XSHSMGBESA-N
About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 99 of 99 companies. For more detailed information, please visit ECHA C&L website.

First Aid

For eye exposure, immediately check and remove contact lenses if any, and rinse the eyes with water or saline for 20 to 30 minutes, while seeking medical advice. Avoid applying any substances in the eyes unless directed by a doctor. Post-rinsing, promptly take the individual to the hospital regardless of symptom presence.

In cases of skin contact, swiftly rinse the affected area with water, removing any contaminated clothing, and cleanse the skin with soap and water. If irritation or redness occurs, seek medical attention immediately and be ready for hospital transport.

If inhaled, leave the area at once to breathe fresh air. Should respiratory discomfort or symptoms arise, get medical help and prepare for hospitalization. Rescuers should wear appropriate respiratory protection, preferably a Self-Contained Breathing Apparatus (SCBA), or at least protection that meets or exceeds recommended levels.

After ingestion, do not induce vomiting. If the individual is conscious and not in seizures, give them a couple of glasses of water to dilute the substance and immediately contact medical services. If convulsing or unconscious, keep the airway clear and position the person with their head lower than the body, avoiding oral intake. Promptly transport to the hospital.

These instructions aim to mitigate the immediate effects of hazardous substance exposure, emphasizing swift action and immediate medical consultation for all routes of exposure.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

306.5 g/mol

XLogP3-AA

6.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

15

Exact Mass

306.255880323 g/mol

Monoisotopic Mass

306.255880323 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

327

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

3

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Ethyl linolenate is a clear colorless liquid. (NTP, 1992)

Boiling Point

424 °F at 15 mmHg (NTP, 1992)

Density

0.8919 at 77 °F (NTP, 1992) - Less dense than water; will float

Source: PubChem                       

            

Source Species: Eremomastax speciosa
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