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CAS 26896-20-8 Neodecanoic acid molecular structure lightbox
CAS RN: 26896-20-8

Neodecanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 1g / 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-125298
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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: 500g
  • Available purity: ≥98%
  • 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 26896-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

26896-20-8 / 2-ethyl-2,5-dimethylhexanoic acid

Standard CAS: 26896-20-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26896-20-8
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
SMILES
CCC(C)(CCC(C)C)C(=O)O
InChI
InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
InChIKey
PKJSRUTWBDIWAR-UHFFFAOYSA-N

Physical Properties

Melting Point
less than 104 °F (USCG, 1999) -39 °C
Boiling Point
482 to 494 °F at 760 mmHg (USCG, 1999) 243-253 °C
Density
0.92 (USCG, 1999) - Less dense than water; will float Relative density (water = 1): 0.91
Physical Description
Neodecanoic acid is a colorless liquid. (USCG, 1999) Other Solid; Liquid Colorless liquid; [CAMEO] COLOURLESS LIQUID.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.11
TPSA
37.3

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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