CAS RN: 14901-07-6
β-Ionone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251007 | 25ml / 100ml / 500ml / 2.5L | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | 8-10 business days | Inquiry |
- Product code: SSC-059130
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
14901-07-6 / 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Basic Information
CAS
14901-07-6
Multi CAS
No
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
SMILES
CC1=C(C(CCC1)(C)C)C=CC(=O)C
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChIKey
PSQYTAPXSHCGMF-UHFFFAOYSA-N
Physical Properties
Melting Point
-35 °C
Boiling Point
284 °F at 18 mmHg (NTP, 1992)
271 °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
0.9462 (NTP, 1992) - Less dense than water; will float
0.9461 at 20/4 °C
Physical Description
Beta-ionone is a colorless to light yellow liquid with an odor of cedar wood. In very dilute alcoholic solution the odor resembles odor of violets. Used in perfumery.
Liquid; Liquid, Other Solid
Appearance
Colorless to pale, straw-colored liquid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
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.
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.15
TPSA
17.07
LogP / Solubility
WLOGP
3.66
MLOGP
3.22
XLogP3
2.9
Consensus LogP
3.26
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-1.3
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
Irritant
Signal
Warning
GHS Hazard Statements
H400 (17.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H411 (98.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Not Classified
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P273, P391, and P501
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501
