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CAS 611-14-3 2-Ethyltoluene molecular structure lightbox
CAS RN: 611-14-3

2-Ethyltoluene

  • Product code: SSC-169869
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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: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 611-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

611-14-3 / 1-ethyl-2-methylbenzene

Standard CAS: 611-14-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
611-14-3
Multi CAS
Yes
Molecular Formula
C9H12
Molecular Weight
120.190000
Exact Mass
120.093900
InChI
InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKey
HYFLWBNQFMXCPA-UHFFFAOYSA-N

Physical Properties

Melting Point
-113.4 °F (USCG, 1999)
Boiling Point
329.4 °F at 760 mmHg (USCG, 1999)
Density
0.8807 at 68 °F (USCG, 1999) - Less dense than water; will float
Physical Description
Ethyl toluene appears as a colorless liquid with an aromatic hydrocarbon odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point 105 °F. Boiling point is 324 °F. Contact may irritate the skin, eyes, and mucous membranes. Used as a solvent. Liquid Colorless liquid with an aromatic odor of hydrocarbons; [CAMEO]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
40.56
TPSA
0.0000

LogP / Solubility

WLOGP
2.56
MLOGP
2.24
XLogP3
3.5
Consensus LogP
2.77
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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