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CAS 1191-41-9 LINOLENIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 1191-41-9

LINOLENIC ACID ETHYL ESTER

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19 package records18 with current stock5 grade groups
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Batchno.20250128 100ml In stock Inquiry
Batchno.20250819 25ml In stock Inquiry
Batchno.20250107 500ml In stock Inquiry
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Batchno.20250911 100mg In stock Inquiry
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Batchno.20250614 5g In stock Inquiry
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Batchno.20260121 100ml In stock Shanghai, Shandong Inquiry
Batchno.20260420 25ml In stock Shandong Inquiry
Batchno.20250410 500ml In stock Shanghai Inquiry
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  • Product code: SSC-019571
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1191-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1191-41-9 / ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

ethyl octadeca-9,12,15-trienoate | DTXSID20859597 | RefChem:139023

Standard CAS: 1191-41-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1191-41-9
Multi CAS
Yes
Molecular Formula
C20H34O2
Molecular Weight
306.500000
Exact Mass
306.255880
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
InChI
InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-
InChIKey
JYYFMIOPGOFNPK-AGRJPVHOSA-N
Synonyms
ethyl octadeca-9,12,15-trienoate DTXSID20859597 RefChem:139023 DTXCID50809782 Ethyl octadeca-9,12,15-trienoic acid

Physical Properties

Boiling Point
424 °F at 15 mmHg (NTP, 1992)
Density
0.8919 at 77 °F (NTP, 1992) - Less dense than water; will float
Physical Description
Ethyl linolenate is a clear colorless liquid. (NTP, 1992)
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store it in a freezer. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.65
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
95.9
TPSA
26.3

LogP / Solubility

WLOGP
6.14
MLOGP
5.42
XLogP3
6.6
Consensus LogP
6.05
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

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.

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