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CAS 1009-61-6 1,4-Diacetylbenzene molecular structure lightbox
CAS RN: 1009-61-6

1,4-Diacetylbenzene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250627 100g Out of stock 5-7 business days Inquiry
Batchno.20260518 1g In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20260427 25g In stock Shanghai, Hebei Inquiry
Batchno.20260222 5g In stock Shanghai, Chongqing, Hebei Inquiry
  • Product code: SSC-001641
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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: 10g
  • 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 1009-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1009-61-6 / 1-(4-acetylphenyl)ethanone

1,4-Diacetylbenzene | p-Diacetylbenzene | p-Acetylacetophenone

Standard CAS: 1009-61-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1009-61-6
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
SMILES
CC(=O)C1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
InChIKey
SKBBQSLSGRSQAJ-UHFFFAOYSA-N
Synonyms
1,4-Diacetylbenzene p-Diacetylbenzene p-Acetylacetophenone Ethanone, 1,1'-(1,4-phenylene)bis- Benzene, p-diacetyl-

Physical Properties

Physical Description
Light yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.45
TPSA
34.14

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.3
Consensus LogP
1.74
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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