CAS RN: 78-36-4
Linalyl Butyrate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250911 | 10g | In stock | Shanghai, Chongqing | Inquiry |
| Batchno.20260117 | 1kg | In stock | Shandong | Inquiry |
| Batchno.20250326 | 1kg | In stock | Inquiry | |
| Batchno.20250410 | 250g | In stock | Shanghai | Inquiry |
| Batchno.20251201 | 250g | In stock | Inquiry | |
| Batchno.20250718 | 25g | In stock | Inquiry | |
| Batchno.20260630 | 50g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250819 | 5g | In stock | Inquiry |
- Product code: ICTL0275
- Purity/Analytical Methods: >97.0%(GC)
78-36-4 / 3,7-dimethylocta-1,6-dien-3-yl butanoate
Basic Information
CAS
78-36-4
Multi CAS
No
Molecular Formula
C14H24O2
Molecular Weight
224.340000
Exact Mass
224.177630
InChI
InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
InChIKey
FHLGUOHLUFIAAA-UHFFFAOYSA-N
Physical Properties
Boiling Point
220.00 to 222.00 °C. @ 760.00 mm Hg
Density
0.855-0.905
Physical Description
Liquid
colourless or yellowish liquid with a heavy-fruity, sweet, pear-like odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.64
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
68.27
TPSA
26.3
LogP / Solubility
WLOGP
4.02
MLOGP
3.54
XLogP3
4.1
Consensus LogP
3.89
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
Geranyl Nitrile [mixture of (E)- and (Z)- isomers, (1:1)]
- CAS RN: 5146-66-7
- Product Code: SSC-158297
-
-
![CAS 5146-66-7 Geranyl Nitrile [mixture of (E)- and (Z)- isomers, (1:1)] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/g0241-jpgcontextbwfzdgvyfhjvb3r8mzq3otr8aw1hz2uvanblz3xonmmvadu5lzg5mza4mdm2ndy0otqvrzayndeuanbnfdriyzrkzwuwnzc3mtk3yzaxzwqzmdu0zje3mmzhzgyznde0ytg2zjjly2vhyzq2mwezntm1zmmxyjjmytzmmmm.jpeg)
