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CAS 1559-35-9 2-(2-ETHYLHEXYLOXY)ETHANOL molecular structure lightbox
CAS RN: 1559-35-9

2-(2-ETHYLHEXYLOXY)ETHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS1559-35-9
  • Purity/Analytical Methods: >99.0%
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1559-35-9 / 2-(2-ethylhexoxy)ethanol

Standard CAS: 1559-35-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1559-35-9
Multi CAS
No
Molecular Formula
C10H22O2
Molecular Weight
174.280000
Exact Mass
174.161980
SMILES
CCCCC(CC)COCCO
InChI
InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3
InChIKey
OHJYHAOODFPJOD-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Clear colorless liquid with a mild odor of ether
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.21
TPSA
29.46

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-2.21

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)
Irritant Corrosive Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H315 (91.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H412 (14.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302 (23.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (43.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 P301+P316, P331, P405, and P501 P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501

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