[email protected]
CAS 1118-84-9 Allyl Acetoacetate molecular structure lightbox
CAS RN: 1118-84-9

Allyl Acetoacetate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 25ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251019 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250414 100ml In stock Shandong Inquiry
Batchno.20250425 25ml In stock Shanghai Inquiry
  • Product code: SSC-012322
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: 500g
  • 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 1118-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

1118-84-9 / prop-2-enyl 3-oxobutanoate

Allyl acetoacetate | Allyl acetylacetate | Acetoacetic acid, allyl ester

Standard CAS: 1118-84-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1118-84-9
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
CC(=O)CC(=O)OCC=C
InChI
InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
InChIKey
AXLMPTNTPOWPLT-UHFFFAOYSA-N
Synonyms
Allyl acetoacetate Allyl acetylacetate Acetoacetic acid, allyl ester Butanoic acid, 3-oxo-, 2-propenyl ester UNII-8HX066J62P

Physical Properties

Physical Description
Clear colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
36.45
TPSA
43.37

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.6
Consensus LogP
0.63
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.09

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (57.5%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (42.5%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (98.9%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P262, P264, P270, P280, P301+P316, P301+P317, P302+P352, P316, P321, P330, P332+P317, P361+P364, P362+P364, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us