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CAS 10477-47-1 Propargyl Acrylate (stabilized with BHT) molecular structure lightbox
CAS RN: 10477-47-1

Propargyl Acrylate (stabilized with BHT)

  • Product code: SSC-006512
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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: 5g
  • Available purity: ≥97%
  • 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 10477-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

10477-47-1 / prop-2-ynyl prop-2-enoate

Propargyl acrylate | 2-Propenoic acid, 2-propynyl ester | 2-Propynyl acrylate

Standard CAS: 10477-47-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10477-47-1
Multi CAS
Yes
Molecular Formula
C6H6O2
Molecular Weight
110.110000
Exact Mass
110.036779
SMILES
C=CC(=O)OCC#C
InChI
InChI=1S/C6H6O2/c1-3-5-8-6(7)4-2/h1,4H,2,5H2
InChIKey
WPBNLDNIZUGLJL-UHFFFAOYSA-N
Synonyms
Propargyl acrylate 2-Propenoic acid, 2-propynyl ester 2-Propynyl acrylate 2-Propenoic acid, 2-propyn-1-yl ester UCB3ZIC58Q

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
29.99
TPSA
26.3

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
0.8
Consensus LogP
0.48
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.14

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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H226 (78.7%): Flammable liquid and vapor [Warning Flammable liquids] H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (31.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

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