[email protected]
CAS 542-59-6 2-Hydroxyethyl Acetate molecular structure lightbox
CAS RN: 542-59-6

2-Hydroxyethyl Acetate

  • Product code: SSC-161814
GET A QUOTE
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: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 542-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

542-59-6 / 2-hydroxyethyl acetate

Standard CAS: 542-59-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
542-59-6
Multi CAS
Yes
Molecular Formula
C4H8O3
Molecular Weight
104.100000
Exact Mass
104.047344
InChI
InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
InChIKey
HXDLWJWIAHWIKI-UHFFFAOYSA-N

Physical Properties

Boiling Point
358 to 360 °F at 760 mmHg (NTP, 1992)
Density
1.106 at 77 °F (NTP, 1992) - Denser than water; will sink
Physical Description
Almost odorless clear colorless liquid. (NTP, 1992)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
23.72
TPSA
46.53

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.6
Consensus LogP
-0.49
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us