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CAS 13533-05-6 2-(2-hydroxyethoxy)ethyl acrylate molecular structure lightbox
CAS RN: 13533-05-6

2-(2-hydroxyethoxy)ethyl acrylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13533-05-6
  • Purity/Analytical Methods: >99.0%
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13533-05-6 / 2-(2-hydroxyethoxy)ethyl prop-2-enoate

Standard CAS: 13533-05-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13533-05-6
Multi CAS
No
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
SMILES
C=CC(=O)OCCOCCO
InChI
InChI=1S/C7H12O4/c1-2-7(9)11-6-5-10-4-3-8/h2,8H,1,3-6H2
InChIKey
RWXMAAYKJDQVTF-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.06
TPSA
55.76

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.4
Consensus LogP
-0.31
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
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)
-3.89

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)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H310 (99.6%): Fatal in contact with skin [Danger Acute toxicity, dermal] H314 (99.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501

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