CAS RN: 123-01-3
Dodecylbenzene
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250428 | 1ml / 5ml / 25ml / 100ml | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260323 | 100ml | In stock | Shanghai, Chongqing | Inquiry | |
| Batchno.20260529 | 2.5L | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250409 | 25ml | Out of stock | 1 business days | Inquiry | |
| Batchno.20250609 | 500ml | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20260603 | 5ml | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250516 | 500mg | In stock | Shanghai, Chongqing | Inquiry |
- Product code: ICTD1074
- Purity/Analytical Methods: >98.0%(GC)
123-01-3 / dodecylbenzene
Basic Information
CAS
123-01-3
Multi CAS
No
Molecular Formula
C18H30
Molecular Weight
246.400000
Exact Mass
246.234751
SMILES
CCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
InChIKey
KWKXNDCHNDYVRT-UHFFFAOYSA-N
Physical Properties
Melting Point
19.4 °F (NTP, 1992)
3 °C
Boiling Point
627.8 °F at 760 mmHg (NTP, 1992)
328 °C
290-410 °C
Density
0.86 at 68 °F (USCG, 1999) - Less dense than water; will float
0.8851 @ 20 °C/4 °C
Relative density (water = 1): 0.86
Physical Description
Dodecylbenzene is a colorless liquid with a weak oily odor. Floats on water. (USCG, 1999)
Colorless liquid; [ICSC]
COLOURLESS LIQUID.
Appearance
COLORLESS LIQUID
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
11
Molar refractivity
81.99
TPSA
0.0000
LogP / Solubility
WLOGP
6.15
MLOGP
5.42
XLogP3
8.8
Consensus LogP
6.79
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (17.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H400 (17.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (17.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H413 (34.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501
