CAS RN: 1117-52-8
(5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 100g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260404 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260124 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250920 | 1g / 5g / 10g / 50g / 250g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20251216 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20251101 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250809 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260503 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-012278
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1117-52-8 / (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
6,10,14-Trimethylpentadeca-5,9,13-trien-2-one | 5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL- | DTXSID5061087
Basic Information
CAS
1117-52-8
Multi CAS
Yes
Molecular Formula
C18H30O
Molecular Weight
262.400000
Exact Mass
262.229666
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)C
InChI
InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKey
LTUMRKDLVGQMJU-IUBLYSDUSA-N
Synonyms
6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-
DTXSID5061087
RefChem:528361
DTXCID2047856
Physical Properties
Density
0.885-0.895
Physical Description
Colourless or pale straw-coloured oily liquid; intensely sweet, floral odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.61
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
85.33
TPSA
17.07
LogP / Solubility
WLOGP
5.77
MLOGP
5.09
XLogP3
5.6
Consensus LogP
5.49
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.22
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
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 91 of 92 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
