CAS RN: 541-85-5
5-Methyl-3-heptanone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 5ml / 25ml / 100ml | Confirm by inquiry | Shanghai, Hebei, Shandong | Inquiry |
- Product code: SSC-161651
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
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25ml | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
541-85-5 / 5-methylheptan-3-one
Basic Information
CAS
541-85-5
Multi CAS
Yes
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
InChI
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey
PSBKJPTZCVYXSD-UHFFFAOYSA-N
Physical Properties
Melting Point
-70 °F (NIOSH, 2024)
-56.7 °C
-70 °F
Boiling Point
315 °F at 760 mmHg (NIOSH, 2024)
157-162 °C
315 °F
Density
0.82 (NIOSH, 2024) - Less dense than water; will float
Relative density (water = 1): 0.82
0.82
Physical Description
Ethyl sec-amyl ketone appears as a clear colorless liquid with a pungent odor. Insoluble in water and partially soluble in alcohol. Vapors are denser than air and may have a narcotic effect in high concentrations. Used in making perfumes and as a solvent for nitrocellulose and vinyl resins.
Colorless liquid with a pungent odor; [NIOSH]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Colorless liquid with a pungent odor.
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
39.37
TPSA
17.07
LogP / Solubility
WLOGP
2.4
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
