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: 5g, 10g, 0.1g, 0.25g, 1g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1124-20-5 / 1-methyl-3-prop-1-en-2-ylbenzene
alpha,3-Dimethylstyrene | m,alpha-Dimethylstyrene | m-Isopropenyltoluene
Basic Information
CAS
1124-20-5
Multi CAS
Yes
Molecular Formula
C10H12
Molecular Weight
132.200000
Exact Mass
132.093900
SMILES
CC1=CC(=CC=C1)C(=C)C
InChI
InChI=1S/C10H12/c1-8(2)10-6-4-5-9(3)7-10/h4-7H,1H2,2-3H3
InChIKey
XXTQHVKTTBLFRI-UHFFFAOYSA-N
Synonyms
alpha,3-Dimethylstyrene
m,alpha-Dimethylstyrene
m-Isopropenyltoluene
2-M-Tolylpropene
m-Cymenene
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
Molar refractivity
45.89
TPSA
0.0000
LogP / Solubility
WLOGP
3.03
MLOGP
2.66
XLogP3
3.7
Consensus LogP
3.13
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
