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CAS 91-53-2 6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline [Antioxidant for rubber] molecular structure lightbox
CAS RN: 91-53-2

6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline [Antioxidant for rubber]

Product Availability

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12 package records12 with current stock5 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100g In stock Inquiry
Batchno.20260302 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100g In stock Inquiry
Batchno.20260426 2.5kg In stock Inquiry
Batchno.20260617 25g In stock Inquiry
Batchno.20250702 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 100g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250429 1kg In stock Shanghai, Chengdu Inquiry
Batchno.20250228 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260321 500g In stock Shanghai, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 250mg In stock Inquiry
  • Product code: SSC-203763
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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: 500g
  • Available purity: ≥95%
  • 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 91-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

91-53-2 / 6-ethoxy-2,2,4-trimethyl-1H-quinoline

Standard CAS: 91-53-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
91-53-2
Multi CAS
No
Molecular Formula
C14H19NO
Molecular Weight
217.310000
Exact Mass
217.146664
InChI
InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKey
DECIPOUIJURFOJ-UHFFFAOYSA-N

Physical Properties

Melting Point
less than 32 °F (NTP, 1992) Approximately 0 °C
Boiling Point
253 to 257 °F at 2 mmHg (NTP, 1992) 123-125 °C AT 2 MM HG
Density
1.029 to 1.031 at 77 °F (NTP, 1992) 1.029-1.031 AT 25 °C/25 °C
Physical Description
Ethoxyquin is a clear light yellow to dark brown viscous liquid. Discolors and stains badly. Mercaptan-like odor. (NTP, 1992) Yellow liquid; [Merck Index] Light yellow to dark brown viscous liquid with an odor like mercaptans; Darkened by light and air; [CAMEO] Formulated as an emulsifiable concentrate and an impregnated wrap; [Reference #2] Dark brown liquid
Appearance
YELLOW LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.96
TPSA
21.26

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.1
Consensus LogP
3.35
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly 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)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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