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CAS 126-86-3 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) molecular structure lightbox
CAS RN: 126-86-3

2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture)

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 100g Out of stock Inquiry
Batchno.20250804 1kg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250419 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250910 500g Out of stock Inquiry
  • Product code: SSC-031443
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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 126-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

126-86-3 / 2,4,7,9-tetramethyldec-5-yne-4,7-diol

Standard CAS: 126-86-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
126-86-3
Multi CAS
No
Molecular Formula
C14H26O2
Molecular Weight
226.350000
Exact Mass
226.193280
SMILES
CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
InChI
InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
InChIKey
LXOFYPKXCSULTL-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; Liquid, Other Solid; Other Solid White to pale yellow melt
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.93
TPSA
40.46

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.7
Consensus LogP
2.52
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H317 (33.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (45.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (52.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H412 (75.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, and P501

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