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CAS 105-53-3 Diethyl malonate molecular structure lightbox
CAS RN: 105-53-3

Diethyl malonate

Product Availability

Choose a grade to view its available package options.

13 package records13 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 100g In stock Inquiry
Batchno.20250707 10kg In stock Inquiry
Batchno.20251231 2.5kg In stock Inquiry
Batchno.20260203 25g In stock Inquiry
Batchno.20250807 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251202 10kg In stock Shanghai, Shandong Inquiry
Batchno.20250814 12X500g In stock Shanghai Inquiry
Batchno.20250822 1kg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260217 2.5kg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250506 20kg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251123 500g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260426 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-006780
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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: 25g, 100g, 500g, 1000g
  • Available purity: >99%
  • 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 105-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >99% 0 Out of Stock Beijing Inquiry
100g >99% 0 Out of Stock Shenzhen Inquiry
500g >99% 0 Out of Stock Hong Kong Inquiry
1000g >99% 0 Out of Stock Shenzhen Inquiry

105-53-3 / diethyl propanedioate

DIETHYL MALONATE | Diethyl propanedioate | Ethyl malonate

Standard CAS: 105-53-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
105-53-3
Multi CAS
Yes
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
SMILES
CCOC(=O)CC(=O)OCC
InChI
InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChIKey
IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Synonyms
DIETHYL MALONATE Diethyl propanedioate Ethyl malonate Malonic ester Propanedioic acid, diethyl ester

Physical Properties

Melting Point
-50 °C
Boiling Point
200 °C 199.00 to 200.00 °C. @ 760.00 mm Hg 199 °C
Density
1.0551 g/cu cm at 20 °C Density (at 20 °C): 1.06 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00 1.053-1.056
Physical Description
Liquid, Other Solid; Liquid Colorless liquid with a sweet ester odor; [Hawley] Liquid COLOURLESS LIQUID. colourless liquid with slightly fruity odour
Appearance
Colorless liquid Clear, colorless liquid
State
Solid
Storage Conditions
Separated from strong oxidants. Ventilation along the floor. Store in an area without drain or sewer access.

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
37.88
TPSA
52.6

LogP / Solubility

WLOGP
0.5
MLOGP
0.44
XLogP3
1
Consensus LogP
0.65
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.34

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 (96.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H227: Combustible liquid [Warning Flammable liquids] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317 P210, P264+P265, P273, P280, P305+P351+P338, P337+P317, P370+P378, P403, and P501 P210, P273, P280, P370+P378, P403, and P501

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