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CAS 105-75-9 Dibutyl Fumarate molecular structure lightbox
CAS RN: 105-75-9

Dibutyl Fumarate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250612 1kg In stock Shanghai Inquiry
Batchno.20250121 25g In stock Shanghai Inquiry
Batchno.20260420 500g In stock Shanghai Inquiry
Batchno.20260512 5kg In stock Shanghai Inquiry
  • Product code: SSC-006783
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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: 1000g
  • 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 105-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ＞97% 0 Out of Stock Shenzhen Inquiry

105-75-9 / dibutyl (E)-but-2-enedioate

dibutyl but-2-enedioate | DTXSID50859186 | RefChem:1083392

Standard CAS: 105-75-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
105-75-9
Multi CAS
Yes
Molecular Formula
C12H20O4
Molecular Weight
228.280000
Exact Mass
228.136159
SMILES
CCCCOC(=O)/C=C/C(=O)OCCCC
InChI
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKey
JBSLOWBPDRZSMB-BQYQJAHWSA-N
Synonyms
dibutyl but-2-enedioate DTXSID50859186 RefChem:1083392 DTXCID90809665 dibutylmaleat-

Physical Properties

Physical Description
Clear nearly colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
60.87
TPSA
52.6

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.7
Consensus LogP
2.3
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.53

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)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (96.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H373 (73.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (93.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (96.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501

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