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CAS 1002-62-6 Sodium Decanoate molecular structure lightbox
CAS RN: 1002-62-6

Sodium Decanoate

  • Product code: SSC-000627
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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: ≥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 1002-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

1002-62-6 / sodium decanoate

Sodium decanoate | Sodium caprate | Decanoic acid, sodium salt

Standard CAS: 1002-62-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1002-62-6
Multi CAS
Yes
Molecular Formula
C10H19NaO2
Molecular Weight
194.250000
Exact Mass
194.128274
SMILES
CCCCCCCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1
InChIKey
FIWQZURFGYXCEO-UHFFFAOYSA-M
Synonyms
Sodium decanoate Sodium caprate Decanoic acid, sodium salt Capric acid, sodium salt 4I820XKV2A

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
47.62
TPSA
40.13

LogP / Solubility

WLOGP
-1.12
MLOGP
-0.99
XLogP3
-1.12
Consensus LogP
-1.08
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.7

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
H412 (94.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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