CAS RN: 1577-18-0
trans-3-Hexenoic Acid
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260320 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260127 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260621 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260530 | 500g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251024 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-066518
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: ≥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 |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1577-18-0 / (E)-hex-3-enoic acid
Basic Information
CAS
1577-18-0
Multi CAS
No
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
SMILES
CC/C=C/CC(=O)O
InChI
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
InChIKey
XXHDAWYDNSXJQM-ONEGZZNKSA-N
Physical Properties
Density
0.958-0.971
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.68
TPSA
37.3
LogP / Solubility
WLOGP
1.43
MLOGP
1.25
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.4
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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (74.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
