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CAS 106-79-6 Dimethyl Sebacate molecular structure lightbox
CAS RN: 106-79-6

Dimethyl Sebacate

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 100g In stock Inquiry
Batchno.20260329 2.5kg In stock Inquiry
Batchno.20251202 25g In stock Inquiry
Batchno.20251222 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250301 1kg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250302 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250607 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-007660
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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: ≥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 106-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

106-79-6 / dimethyl decanedioate

DIMETHYL SEBACATE | Dimethyl decanedioate | Methyl sebacate

Standard CAS: 106-79-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-79-6
Multi CAS
Yes
Molecular Formula
C12H22O4
Molecular Weight
230.300000
Exact Mass
230.151809
SMILES
COC(=O)CCCCCCCCC(=O)OC
InChI
InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChIKey
ALOUNLDAKADEEB-UHFFFAOYSA-N
Synonyms
DIMETHYL SEBACATE Dimethyl decanedioate Methyl sebacate Sebacic acid dimethyl ester Decanedioic acid, dimethyl ester

Physical Properties

Physical Description
White solid; mp = 25-28 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
60.97
TPSA
52.6

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
3
Consensus LogP
2.54
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-2.38

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
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (10.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H412 (10.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, and P501

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