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CAS 139-12-8 Aluminum acetate molecular structure lightbox
CAS RN: 139-12-8

Aluminum acetate

  • Product code: SSC-049138
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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: 1000g
  • 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 139-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ≥95% 0 Out of Stock Hong Kong Inquiry

139-12-8 / aluminum triacetate

Standard CAS: 139-12-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-12-8
Multi CAS
No
Molecular Formula
C6H9AlO6
Molecular Weight
204.110000
Exact Mass
204.021451
SMILES
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]
InChI
InChI=1S/3C2H4O2.Al/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKey
WCOATMADISNSBV-UHFFFAOYSA-K

Physical Properties

Physical Description
Neutral form: White solid, soluble in water; [Hawley]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
H-bond acceptors
6
Molar refractivity
37.8
TPSA
120.39

LogP / Solubility

WLOGP
-4.11
MLOGP
-3.62
XLogP3
-4.11
Consensus LogP
-3.95
Log S (ESOL)
1.49
Class (ESOL)
Highly soluble
Log S (Ali)
1.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.43
Class (SILICOS-IT)
Highly 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)
-6.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (59.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (59.8%): 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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