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CAS 107-66-4 Dibutyl Phosphate molecular structure lightbox
CAS RN: 107-66-4

Dibutyl Phosphate

  • Product code: SSC-008461
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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: 500g
  • 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 107-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Beijing Inquiry

107-66-4 / dibutyl hydrogen phosphate

DIBUTYL PHOSPHATE | Dibutyl hydrogen phosphate | Di-n-butyl phosphate

Standard CAS: 107-66-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
107-66-4
Multi CAS
Yes
Molecular Formula
C8H19O4P
Molecular Weight
210.210000
Exact Mass
210.102096
SMILES
CCCCOP(=O)(O)OCCCC
InChI
InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKey
JYFHYPJRHGVZDY-UHFFFAOYSA-N
Synonyms
DIBUTYL PHOSPHATE Dibutyl hydrogen phosphate Di-n-butyl phosphate Phosphoric acid, dibutyl ester Dibutyl acid phosphate

Physical Properties

Melting Point
8.6 °F (ICSC, 2024) -13 °C
Boiling Point
212 °F at 760 mmHg (Decomposes) (NIOSH, 2024) 136 °C at 0.05 mm Hg 135-138 °C 212 °F (decomposes) 212 °F (Decomposes)
Density
1.06 (NIOSH, 2024) - Denser than water; will sink 1.06 g/cu cm at 20 °C Relative density (water = 1): 1.06 1.06
Physical Description
Dibutyl phosphate is a pale-amber odorless liquid. Moderately soluble in water. Liquid Pale-amber, odorless liquid; [NIOSH] COLOURLESS LIQUID. Pale-amber, odorless liquid.
Appearance
Pale-amber liquid or oil
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.55
TPSA
55.76

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
1.5
Consensus LogP
2.21
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.07

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)
Corrosive Health Hazard Irritant
Signal
Danger Warning
GHS Hazard Statements
H314 (91.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (68.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H351 (20%): Suspected of causing cancer [Warning Carcinogenicity] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P363, P405, and P501 P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 P260, P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P203, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P363, P405, and P501

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