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CAS 112-12-9 2-Undecanone molecular structure lightbox
CAS RN: 112-12-9

2-Undecanone

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260625 2.5L Out of stock 5-7 business days Inquiry
Batchno.20260102 25ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20251001 500ml In stock Shandong, Hebei Inquiry
  • Product code: SSC-012466
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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: 25ml, 100ml
  • Available purity: ≥97%
  • 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 112-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥97% 0 Out of Stock Shanghai Inquiry
100ml ≥97% 0 Out of Stock Shenzhen Inquiry

112-12-9 / undecan-2-one

2-Undecanone | Undecan-2-one | Methyl nonyl ketone

Standard CAS: 112-12-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-12-9
Multi CAS
No
Molecular Formula
C11H22O
Molecular Weight
170.290000
Exact Mass
170.167065
SMILES
CCCCCCCCCC(=O)C
InChI
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKey
KYWIYKKSMDLRDC-UHFFFAOYSA-N
Synonyms
2-Undecanone Undecan-2-one Methyl nonyl ketone 2-Hendecanone Rue ketone

Physical Properties

Melting Point
15 °C
Boiling Point
231.5 °C BP: 231.5 to 232.5 °C at 761 mm Hg; 99 °C at 7 mm Hg 231.00 to 232.00 °C. @ 760.00 mm Hg
Density
0.8260 to 0.8263 at 20 °C/4 °C 0.822 -0.826
Physical Description
Colorless, oily liquid; [HSDB] Colorless liquid; mp = 11-13 deg C; Liquid colourless to pale yellow liquid with a citrus, fatty, rue-like odour
Appearance
Oily liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.91
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
53.29
TPSA
17.07

LogP / Solubility

WLOGP
3.72
MLOGP
3.27
XLogP3
4.1
Consensus LogP
3.7
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

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)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (84.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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