CAS RN: 127-41-3
α-Ionone
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260518 | 100g | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20250118 | 2.5kg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250508 | 25g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20260305 | 500g | In stock | Shandong, Chongqing | Inquiry | |
| Batchno.20250226 | 5g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251117 | 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-034375
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: 100g
- Available purity: 90%
- 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 |
|---|---|---|---|---|
| 100g | 90% | 0 Out of Stock | Beijing | Inquiry |
127-41-3 / (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Basic Information
CAS
127-41-3
Multi CAS
No
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
SMILES
CC1=CCCC(C1/C=C/C(=O)C)(C)C
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey
UZFLPKAIBPNNCA-BQYQJAHWSA-N
Physical Properties
Boiling Point
258 °C at 760 mm Hg
Pale yellow to yellow liquid; Specific gravity: 0.933-0.937 25/25 °C; Boiling point: 126-128 °C at 12 mm Hg /mixed ionone isomers/
Density
0.9319 at 20/4 °C
0.927-0.933
Physical Description
Dry Powder, Liquid; Liquid
colourless to pale-yellow liquid with a warm, woody, violet-floral odour
Appearance
Colorless to slightly yellow liquid
State
Solid
Storage Conditions
Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Light sensitive.
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.08
TPSA
17.07
LogP / Solubility
WLOGP
3.51
MLOGP
3.09
XLogP3
3
Consensus LogP
3.2
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.4
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
2
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
Danger
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1609 of 1789 companies
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501
P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501
