CAS RN: 107-86-8
3-Methyl-2-butenal
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250818 | 100ml | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry | |
| Batchno.20250822 | 1L | In stock | Shanghai | Inquiry | |
| Batchno.20250706 | 25ml | In stock | Shanghai, Hebei | Inquiry | |
| Batchno.20260304 | 500ml | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260121 | 5ml | In stock | Shanghai, Shandong | Inquiry |
- Product code: SSC-008466
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10ml, 25ml, 500ml, 5ml, 100ml, 1000ml
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10ml | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25ml | ≥97% | 5 In Stock | Beijing | Inquiry |
| 500ml | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 5ml | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 100ml | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 1000ml | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
107-86-8 / 3-methylbut-2-enal
3-Methyl-2-butenal | 3-Methylbut-2-enal | Senecialdehyde
Basic Information
CAS
107-86-8
Multi CAS
Yes
Molecular Formula
C5H8O
Molecular Weight
84.120000
Exact Mass
84.057515
SMILES
CC(=CC=O)C
InChI
InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey
SEPQTYODOKLVSB-UHFFFAOYSA-N
Synonyms
3-Methyl-2-butenal
3-Methylbut-2-enal
Senecialdehyde
3-Methylcrotonaldehyde
3,3-Dimethylacrolein
Physical Properties
Melting Point
-20 °C
Boiling Point
134 °C
136 °C
Density
0.9 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01
0.870-0.875
Physical Description
Colorless to yellow liquid with a pungent odor; [ICSC] Colorless liquid;
Liquid
COLOURLESS-TO-YELLOW LIQUID WITH PUNGENT ODOUR.
Colourless liquid; almond, mild-buttery aroma
State
Liquid
Storage Conditions
Fireproof. Well closed. Separated from strong oxidants. Store in an area without drain or sewer access.
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
25.49
TPSA
17.07
LogP / Solubility
WLOGP
1.15
MLOGP
1
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-2.42
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)
Flammable
Corrosive
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (99.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Hazard Class/Division
3
Packing Group
III
