[email protected]
CAS 1459-10-5 Tetradecylbenzene molecular structure lightbox
CAS RN: 1459-10-5

Tetradecylbenzene

  • Product code: SSC-057057
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1459-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1459-10-5 / tetradecylbenzene

Standard CAS: 1459-10-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1459-10-5
Multi CAS
No
Molecular Formula
C20H34
Molecular Weight
274.500000
Exact Mass
274.266051
SMILES
CCCCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3
InChIKey
JZALLXAUNPOCEU-UHFFFAOYSA-N

Physical Properties

Melting Point
61 °F (USCG, 1999) 16.15 °C
Boiling Point
678 °F at 760 mmHg (USCG, 1999) 359 °C
Density
0.855 at 68 °F (USCG, 1999) - Less dense than water; will float 0.8549 @ 20 °C/4 °C
Physical Description
Tetradecylbenzene is a colorless liquid with a mild odor. Floats on water. (USCG, 1999) mp = 16.15 deg C; [HSDB] Colorless liquid; mp = 16.1 deg C; [CAMEO] Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
13
Molar refractivity
91.22
TPSA
0.0000

LogP / Solubility

WLOGP
6.93
MLOGP
6.11
XLogP3
9.9
Consensus LogP
7.65
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.76
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)
0.53

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)
Health Hazard
Signal
Danger
GHS Hazard Statements
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement Codes
P301+P316, P331, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us