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CAS 4312-99-6 1-Octen-3-one (stabilized with BHT) molecular structure lightbox
CAS RN: 4312-99-6

1-Octen-3-one (stabilized with BHT)

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100g In stock Shanghai Inquiry
Batchno.20250922 10g In stock Shanghai Inquiry
Batchno.20260211 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251026 25g In stock Shanghai Inquiry
Batchno.20260407 500g Out of stock Inquiry
Batchno.20250817 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-151417
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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: 25g
  • 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 4312-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

4312-99-6 / oct-1-en-3-one

Standard CAS: 4312-99-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4312-99-6
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
InChI
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKey
KLTVSWGXIAYTHO-UHFFFAOYSA-N

Physical Properties

Boiling Point
59.00 to 60.00 °C. @ 16.00 mm Hg
Density
0.813-0.819
Physical Description
Colorless liquid; Colourless liquid; mushroom odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
39.35
TPSA
17.07

LogP / Solubility

WLOGP
2.32
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-1.84

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

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