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CAS 1638-16-0 TRIPROPYLENE GLYCOL molecular structure lightbox
CAS RN: 1638-16-0

TRIPROPYLENE GLYCOL

  • Product code: SSC-071181
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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: ≥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 1638-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1638-16-0 / 1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol

Standard CAS: 1638-16-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1638-16-0
Multi CAS
No
Molecular Formula
C9H20O4
Molecular Weight
192.250000
Exact Mass
192.136159
SMILES
CC(COCC(C)OCC(C)O)O
InChI
InChI=1S/C9H20O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3
InChIKey
LEQCJROTXBYLEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.59
TPSA
58.92

LogP / Solubility

WLOGP
0.17
MLOGP
0.15
XLogP3
-0.1
Consensus LogP
0.07
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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