CAS RN: 141-97-9
Ethyl Acetoacetate
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251218 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260322 | 1kg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251227 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251018 | 25kg | In stock | Shanghai | Inquiry |
| Batchno.20260316 | 500g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20260426 | 5kg | Out of stock | Inquiry |
- Product code: SSC-051514
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 100g, 1000g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
141-97-9 / ethyl 3-oxobutanoate
Basic Information
CAS
141-97-9
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CCOC(=O)CC(=O)C
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey
XYIBRDXRRQCHLP-UHFFFAOYSA-N
Physical Properties
Melting Point
less than -112 °F (USCG, 1999)
-45 °C
Boiling Point
363 °F at 760 mmHg (USCG, 1999)
180.8 °C AT 760 MM HG
180.00 to 181.00 °C. @ 760.00 mm Hg
180.8 °C
Density
1.028 at 68 °F (USCG, 1999) - Denser than water; will sink
1.0282 AT 20 °C/4 °C
Relative density (water = 1): 1.021
1.022-1.027
Physical Description
Ethyl acetoacetate appears as a colorless liquid with a fruity odor. Flash point 185 °F. Boiling point 365 °F. May cause adverse health effects if ingested or inhaled. May irritate to skin, eyes and mucous membranes. Used in organic synthesis and in lacquers and paints.
Liquid
Colorless liquid with a fruity odor; [Hawley]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
clear, colourless to yellow mobile liquid; fruity taste; fruity, sweet, and rum-like odour
Appearance
COLORLESS LIQUID
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
31.93
TPSA
43.37
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.2
Consensus LogP
0.4
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.14
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)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (17.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H227: Combustible liquid [Warning Flammable liquids]
H320: Causes eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
P210, P264+P265, P280, P305+P351+P338, P337+P317, P370+P378, P403, and P501
