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CAS 1071-46-1 Monoethyl Malonate molecular structure lightbox
CAS RN: 1071-46-1

Monoethyl Malonate

  • Product code: SSC-008552
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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: 25g, 100g, 10g, 5g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1071-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 4 In Stock Shanghai Inquiry
10g >97% 3 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shanghai Inquiry
500g >97% 1 In Stock Beijing Inquiry
1000g >97% 0 Out of Stock Hong Kong Inquiry

1071-46-1 / 3-ethoxy-3-oxopropanoic acid

Ethyl hydrogen malonate | Monoethyl malonate | E7Y7DZ2K8W

Standard CAS: 1071-46-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1071-46-1
Multi CAS
Yes
Molecular Formula
C5H8O4
Molecular Weight
132.110000
Exact Mass
132.042259
SMILES
CCOC(=O)CC(=O)O
InChI
InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
HGINADPHJQTSKN-UHFFFAOYSA-N
Synonyms
Ethyl hydrogen malonate Monoethyl malonate E7Y7DZ2K8W DTXSID10147915 RefChem:596216

Physical Properties

Melting Point
47 - 50 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.89
TPSA
63.6

LogP / Solubility

WLOGP
0.02
MLOGP
0.01
XLogP3
0.3
Consensus LogP
0.11
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
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)
-3.51

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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