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CAS 116-17-6 Triisopropyl Phosphite molecular structure lightbox
CAS RN: 116-17-6

Triisopropyl Phosphite

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100ml In stock Inquiry
Batchno.20250814 25ml In stock Inquiry
Batchno.20251218 500ml Out of stock Inquiry
Batchno.20251103 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTT0610
  • Purity/Analytical Methods: >95.0%(GC)
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116-17-6 / tripropan-2-yl phosphite

TRIISOPROPYL PHOSPHITE | tripropan-2-yl phosphite | Phosphorous acid, tris(1-methylethyl) ester

Standard CAS: 116-17-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
116-17-6
Multi CAS
Yes
Molecular Formula
C9H21O3P
Molecular Weight
208.230000
Exact Mass
208.122832
SMILES
CC(C)OP(OC(C)C)OC(C)C
InChI
InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3
InChIKey
SJHCUXCOGGKFAI-UHFFFAOYSA-N
Synonyms
TRIISOPROPYL PHOSPHITE tripropan-2-yl phosphite Phosphorous acid, tris(1-methylethyl) ester Tri-2-propyl phosphite Triisopropoxyphosphine

Physical Properties

Boiling Point
94 to 96 °C at 50 mm Hg BP: 74 °C at 20 mm Hg; 60 °C at 10 mm Hg
Density
0.9063 g/cu cm at 20 °C
Physical Description
Liquid Colorless liquid; [HSDB]
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
55.58
TPSA
27.69

LogP / Solubility

WLOGP
3.49
MLOGP
3.07
XLogP3
2.5
Consensus LogP
3.02
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.63
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)
-1.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (94%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501

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