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CAS 13086-84-5 Di-tert-butyl Phosphonate molecular structure lightbox
CAS RN: 13086-84-5

Di-tert-butyl Phosphonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-037400
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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: 1g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 13086-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

13086-84-5 / bis[(2-methylpropan-2-yl)oxy]-oxophosphanium

Standard CAS: 13086-84-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13086-84-5
Multi CAS
No
Molecular Formula
C8H18O3P+
Molecular Weight
193.200000
Exact Mass
193.099356
SMILES
CC(C)(C)O[P+](=O)OC(C)(C)C
InChI
InChI=1S/C8H18O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h1-6H3/q+1
InChIKey
GEBLOQXLELCEEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.28
TPSA
35.53

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
1.9
Consensus LogP
2.68
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-1.57

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

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (86.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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