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CAS 16493-80-4 4-Ethyloctanoic acid molecular structure lightbox
CAS RN: 16493-80-4

4-Ethyloctanoic acid

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100g Out of stock Inquiry
Batchno.20250308 1g In stock Inquiry
Batchno.20250712 25g In stock Inquiry
Batchno.20251204 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 100g In stock Shanghai, Chengdu Inquiry
Batchno.20250622 10g In stock Shanghai Inquiry
Batchno.20250525 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250620 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260222 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260331 5g In stock Shanghai Inquiry
  • Product code: SSC-072083
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16493-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

16493-80-4 / 4-ethyloctanoic acid

Standard CAS: 16493-80-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16493-80-4
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
SMILES
CCCCC(CC)CCC(=O)O
InChI
InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey
PWKJMPFEQOHBAC-UHFFFAOYSA-N

Physical Properties

Boiling Point
110.00 °C. @ 1.00 mm Hg
Density
0.898-0.908
Physical Description
Liquid; fruity, floral aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.18
TPSA
37.3

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
3.6
Consensus LogP
3.12
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-1.59

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): 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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