CAS RN: 1515-80-6
Methyl Sorbate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251019 | 1ml / 5ml / 25ml / 100ml | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-061328
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: 25ml
- 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 |
|---|---|---|---|---|
| 25ml | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1515-80-6 / methyl (2E,4E)-hexa-2,4-dienoate
Basic Information
CAS
1515-80-6
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
C/C=C/C=C/C(=O)OC
InChI
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
InChIKey
KWKVAGQCDSHWFK-VNKDHWASSA-N
Physical Properties
Melting Point
5 °C
Boiling Point
180.00 °C. @ 760.00 mm Hg
Density
0.933-0.938
Physical Description
Liquid
colourless to light yellow liquid; fruity, sweet, anise aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.97
TPSA
26.3
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
1.6
Consensus LogP
1.34
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-2.57
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
