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CAS 1569-01-3 1-Propoxy-2-propanol (contains 2-Isopropoxy-1-propanol) molecular structure lightbox
CAS RN: 1569-01-3

1-Propoxy-2-propanol (contains 2-Isopropoxy-1-propanol)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250608 25ml / 100ml / 500ml / 2.5L / 10L / 25L / 12X500ml Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong, Hebei 5-7 business days Inquiry
  • Product code: ICTP2042
  • Purity/Analytical Methods: >93.0%(GC)
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1569-01-3 / 1-propoxypropan-2-ol

Standard CAS: 1569-01-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1569-01-3
Multi CAS
No
Molecular Formula
C6H14O2
Molecular Weight
118.170000
Exact Mass
118.099380
SMILES
CCCOCC(C)O
InChI
InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3
InChIKey
FENFUOGYJVOCRY-UHFFFAOYSA-N

Physical Properties

Boiling Point
150.2 °C
Density
0.8886 g/cu cm at 20 °C
Physical Description
Liquid Colorless liquid with a mild odor of ether; Hygroscopic; [CHEMINFO]
State
Liquid
Storage Conditions
Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.79
TPSA
29.46

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.88

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
2

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (99%): Flammable liquid and vapor [Warning Flammable liquids] H315 (20.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (38.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (20.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H226: Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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