CAS RN: 110-93-0
6-Methyl-5-hepten-2-one
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251122 | 100ml | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20250703 | 2.5L | In stock | Shandong | Inquiry |
| Batchno.20250315 | 25ml | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20250520 | 500ml | In stock | Shanghai, Chongqing | Inquiry |
- Product code: SSC-011265
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25ml, 100ml, 500ml
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
110-93-0 / 6-methylhept-5-en-2-one
6-METHYL-5-HEPTEN-2-ONE | 6-Methylhept-5-en-2-one | Sulcatone
Basic Information
CAS
110-93-0
Multi CAS
Yes
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
SMILES
CC(=CCCC(=O)C)C
InChI
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey
UHEPJGULSIKKTP-UHFFFAOYSA-N
Synonyms
6-METHYL-5-HEPTEN-2-ONE
6-Methylhept-5-en-2-one
Sulcatone
METHYL HEPTENONE
5-HEPTEN-2-ONE, 6-METHYL-
Physical Properties
Melting Point
FP: -67.1 °C
-67 °C
Boiling Point
173 °C @ 760 MM HG
72.00 to 73.00 °C. @ 18.00 mm Hg
Density
0.8546 @ 16 °C/4 °C
0.846-0.854
Physical Description
Liquid
Colorless liquid; [Hawley]
Colorless to yellowish liquid with a strong odor; [OECD SIDS]
Colourless slightly yellow liquid; strong fatty, green citrus-like odour
Appearance
COLORLESS LIQUID
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
39.35
TPSA
17.07
LogP / Solubility
WLOGP
2.32
MLOGP
2.03
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-1.84
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
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H319 (74.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H226 (98.2%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (83.5%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (83.8%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501
