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CAS 10601-80-6 Ethyl 3,3-Diethoxypropionate molecular structure lightbox
CAS RN: 10601-80-6

Ethyl 3,3-Diethoxypropionate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260225 10ml / 50ml / 250ml / 1L Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-007671
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Verified Factory Data

Supply Overview & Packaging Options

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  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 10601-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
25g ≥95% 5 In Stock Shanghai Inquiry
100g ≥95% 5 In Stock Beijing Inquiry
500g ≥95% 3 In Stock Hong Kong Inquiry
1000g ≥95% 1 In Stock Shanghai Inquiry

10601-80-6 / ethyl 3,3-diethoxypropanoate

Ethyl 3,3-diethoxypropionate | Propanoic acid, 3,3-diethoxy-, ethyl ester | AI3-22276

Standard CAS: 10601-80-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10601-80-6
Multi CAS
No
Molecular Formula
C9H18O4
Molecular Weight
190.240000
Exact Mass
190.120509
SMILES
CCOC(CC(=O)OCC)OCC
InChI
InChI=1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3
InChIKey
SIALOQYKFQEKOG-UHFFFAOYSA-N
Synonyms
Ethyl 3,3-diethoxypropionate Propanoic acid, 3,3-diethoxy-, ethyl ester AI3-22276 EINECS 234-223-1 DTXSID70147476

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
48.29
TPSA
44.76

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.93

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 (20%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (20%): 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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