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CAS 1131-52-8 3-Ethoxy-4-methoxybenzaldehyde molecular structure lightbox
CAS RN: 1131-52-8

3-Ethoxy-4-methoxybenzaldehyde

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250410 100g In stock Inquiry
Batchno.20251221 25g In stock Inquiry
Batchno.20260415 500g In stock Inquiry
Batchno.20260227 5g In stock Inquiry
  • Product code: SSC-013280
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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, 5g, 100g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 1131-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 4 In Stock Hong Kong Inquiry
100g ≥98% 3 In Stock Shanghai Inquiry
10g ≥98% 1 In Stock Shanghai Inquiry

1131-52-8 / 3-ethoxy-4-methoxybenzaldehyde

3-Ethoxy-4-methoxybenzaldehyde | VAMZHXWLGRQSJS-UHFFFAOYSA- | DTXSID90288436

Standard CAS: 1131-52-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1131-52-8
Multi CAS
Yes
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
SMILES
CCOC1=C(C=CC(=C1)C=O)OC
InChI
InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3
InChIKey
VAMZHXWLGRQSJS-UHFFFAOYSA-N
Synonyms
3-Ethoxy-4-methoxybenzaldehyde VAMZHXWLGRQSJS-UHFFFAOYSA- DTXSID90288436 RefChem:93786 DTXCID30239583

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
49.55
TPSA
35.53

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.47

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 (100%): 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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