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CAS 19780-25-7 2-ETHYLCROTONALDEHYDE molecular structure lightbox
CAS RN: 19780-25-7

2-ETHYLCROTONALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-093241
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 19780-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 0 Out of Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

19780-25-7 / (E)-2-ethylbut-2-enal

Standard CAS: 19780-25-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19780-25-7
Multi CAS
No
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
SMILES
CC/C(=C\C)/C=O
InChI
InChI=1S/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3/b6-3+
InChIKey
IQGZCSXWIRBTRW-ZZXKWVIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
30.11
TPSA
17.07

LogP / Solubility

WLOGP
1.54
MLOGP
1.34
XLogP3
1.4
Consensus LogP
1.43
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-2.22

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)
Flammable Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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