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CAS 124-25-4 Tetradecanal molecular structure lightbox
CAS RN: 124-25-4

Tetradecanal

  • Product code: SSC-027676
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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: 1g
  • 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 124-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

124-25-4 / tetradecanal

Standard CAS: 124-25-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
124-25-4
Multi CAS
No
Molecular Formula
C14H28O
Molecular Weight
212.370000
Exact Mass
212.214016
SMILES
CCCCCCCCCCCCCC=O
InChI
InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3
InChIKey
UHUFTBALEZWWIH-UHFFFAOYSA-N

Physical Properties

Melting Point
30 °C
Boiling Point
166.00 °C. @ 24.00 mm Hg
Density
0.825-0.830
Physical Description
Solid colourless to pale yellow liquid/fatty, orris-like odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
67.14
TPSA
17.07

LogP / Solubility

WLOGP
4.89
MLOGP
4.3
XLogP3
6
Consensus LogP
5.06
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
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)
-0.55

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.1%): 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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