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CAS 629-97-0 Docosane [Standard Material for GC] molecular structure lightbox
CAS RN: 629-97-0

Docosane [Standard Material for GC]

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 100g In stock Inquiry
Batchno.20251130 2.5kg In stock Inquiry
Batchno.20260418 25g In stock Inquiry
Batchno.20260110 500g In stock Inquiry
Batchno.20250616 5g In stock Inquiry
Batchno.20250418 5kg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-172320
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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 629-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

629-97-0 / docosane

Standard CAS: 629-97-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
629-97-0
Multi CAS
No
Molecular Formula
C22H46
Molecular Weight
310.600000
Exact Mass
310.359951
InChI
InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
HOWGUJZVBDQJKV-UHFFFAOYSA-N

Physical Properties

Melting Point
111.9 °F (NTP, 1992) 43.8 °C
Boiling Point
695.5 °F at 760 mmHg (NTP, 1992) 369 °C BP: 230 °C (15 mm Hg)
Density
0.7944 at 68 °F (NTP, 1992) - Less dense than water; will float 0.7944 g/cu cm at 20 °C Density: 0.778 g/cu m (45/5 °C)
Physical Description
N-docosane is a solid. Insoluble in water. Used in organic synthesis, calibration, and temperature sensing equipment. Solid; [Hawley] White crystalline solid
Appearance
Platelets from toluene; crystals from ether Solid Colorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
19
Molar refractivity
103.69
TPSA
0.0000

LogP / Solubility

WLOGP
8.83
MLOGP
7.78
XLogP3
11.5
Consensus LogP
9.37
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
1.65

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
2.5

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