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CAS 111-62-6 Ethyl Oleate molecular structure lightbox
CAS RN: 111-62-6

Ethyl Oleate

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11 package records10 with current stock3 grade groups
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Batchno.20250203 100ml Out of stock Inquiry
Batchno.20260101 25ml In stock Inquiry
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Batchno.20260318 100g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250321 1kg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250205 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260403 500g In stock Shanghai, Tianjin Inquiry
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Batchno.20260315 100g In stock Shanghai Inquiry
Batchno.20250107 25g In stock Shanghai Inquiry
Batchno.20260318 500g In stock Tianjin, Chengdu Inquiry
Batchno.20250107 5g In stock Shanghai Inquiry
  • Product code: ICTO0054
  • Purity/Analytical Methods: >70.0%(GC)
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111-62-6 / ethyl (Z)-octadec-9-enoate

ethyl octadec-9-enoate | DTXSID8047634 | RefChem:139022

Standard CAS: 111-62-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
111-62-6
Multi CAS
Yes
Molecular Formula
C20H38O2
Molecular Weight
310.500000
Exact Mass
310.287180
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/b12-11-
InChIKey
LVGKNOAMLMIIKO-QXMHVHEDSA-N
Synonyms
ethyl octadec-9-enoate DTXSID8047634 RefChem:139022 Ethyl octadec-9-enoic acid DTXCID6027634

Physical Properties

Density
0.868-0.873
Physical Description
Clear yellow liquid; oily, slightly yellowish liquid with a floral odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.85
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
96.09
TPSA
26.3

LogP / Solubility

WLOGP
6.59
MLOGP
5.81
XLogP3
8
Consensus LogP
6.8
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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)
0.06

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 142 of 143 companies (only 0.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 15 of 15 companies. For more detailed information, please visit ECHA C&L website.

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