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CAS 109-42-2 BUTYL UNDECYLENATE molecular structure lightbox
CAS RN: 109-42-2

BUTYL UNDECYLENATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260624 1kg In stock Inquiry
Batchno.20250307 250g In stock Inquiry
Batchno.20250601 50g In stock Inquiry
  • Product code: SSC-010183
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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: 100g
  • Available purity: ≥95%
  • 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 109-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

109-42-2 / butyl undec-10-enoate

Butyl undec-10-enoate | Butyl 10-undecenoate | Butyl undecylenate

Standard CAS: 109-42-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
109-42-2
Multi CAS
Yes
Molecular Formula
C15H28O2
Molecular Weight
240.380000
Exact Mass
240.208930
SMILES
CCCCOC(=O)CCCCCCCCC=C
InChI
InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
InChIKey
GRAORJFMGCQWRN-UHFFFAOYSA-N
Synonyms
Butyl undec-10-enoate Butyl 10-undecenoate Butyl undecylenate 10-UNDECENOIC ACID, BUTYL ESTER Butyl 10-undecylenate

Physical Properties

Boiling Point
249.00 to 254.00 °C. @ 756.00 mm Hg
Density
0.872-0.878 (20°)
Physical Description
colourless to pale yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
73
TPSA
26.3

LogP / Solubility

WLOGP
4.64
MLOGP
4.08
XLogP3
5.5
Consensus LogP
4.74
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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