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CAS 110-48-5 Isopropoxypropanol molecular structure lightbox
CAS RN: 110-48-5

Isopropoxypropanol

  • Product code: SSC-011254
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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 110-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

110-48-5 / 3-propan-2-yloxypropan-1-ol

3-Isopropoxy-1-propanol | 1-Propanol, 3-isopropoxy- | Propylene glycol isopropyl ether

Standard CAS: 110-48-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110-48-5
Multi CAS
No
Molecular Formula
C6H14O2
Molecular Weight
118.170000
Exact Mass
118.099380
SMILES
CC(C)OCCCO
InChI
InChI=1S/C6H14O2/c1-6(2)8-5-3-4-7/h6-7H,3-5H2,1-2H3
InChIKey
GBSGXZBOFKJGMG-UHFFFAOYSA-N
Synonyms
3-Isopropoxy-1-propanol 1-Propanol, 3-isopropoxy- Propylene glycol isopropyl ether 3-propan-2-yloxypropan-1-ol 3NEA8L5L2Z

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
0.6
Consensus LogP
0.69
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
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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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