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CAS 1606-85-5 1,4-Bis(2-hydroxyethoxy)-2-butyne molecular structure lightbox
CAS RN: 1606-85-5

1,4-Bis(2-hydroxyethoxy)-2-butyne

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250926 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 100g In stock Inquiry
Batchno.20250213 2.5kg In stock Inquiry
Batchno.20251204 25g In stock Inquiry
Batchno.20260518 500g In stock Inquiry
  • Product code: ICTB0979
  • Purity/Analytical Methods: >50.0%(GC)
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1606-85-5 / 2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethanol

Standard CAS: 1606-85-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1606-85-5
Multi CAS
No
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
SMILES
C(COCC#CCOCCO)O
InChI
InChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2
InChIKey
IXAWTPMDMPUGLV-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.59
TPSA
58.92

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.88
XLogP3
-1.4
Consensus LogP
-1.09
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.49

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (40.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (41.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (40.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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