![CAS 689-67-8 Geranylacetone [mixture of (E)- and (Z)- isomers, (3:2)] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/g0236-jpgcontextbwfzdgvyfhjvb3r8mzmxntn8aw1hz2uvanblz3xoowmvaduylzg5mza4mdm0ndk4odyvrzaymzyuanbnfde5ywyzmzk0mti5ytu1yzkzytgyzwvmzdk2mgqyoduzndmwmwvhogyxnjyxodniyza4owe1nmjmyzc0zmvizwu.jpeg)
CAS RN: 689-67-8
Geranylacetone [mixture of (E)- and (Z)- isomers, (3:2)]
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260323 | 25ml / 100ml / 500ml | Confirm by inquiry | Shanghai, Guangdong, Chongqing | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260318 | 25ml / 100ml / 500ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260116 | 5ml | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTG0236
- Purity/Analytical Methods: >96.0%(GC)
689-67-8 / 6,10-dimethylundeca-5,9-dien-2-one
Basic Information
CAS
689-67-8
Multi CAS
Yes
Molecular Formula
C13H22O
Molecular Weight
194.310000
Exact Mass
194.167065
InChI
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3
InChIKey
HNZUNIKWNYHEJJ-UHFFFAOYSA-N
Physical Properties
Density
0.861-0.873
Physical Description
Colourless slightly yellow liquid; fresh floral but penetrating sweet-rosey aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
62.34
TPSA
17.07
LogP / Solubility
WLOGP
4.05
MLOGP
3.56
XLogP3
3.7
Consensus LogP
3.77
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.03
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
Customers Also Viewed
-
-
-
-
-
-
Citral Dimethyl Acetal (cis- and trans- mixture)
- CAS RN: 7549-37-3
- Product Code: ICTC1211
- Purity/Analytical method: >90.0%(GC)
