[email protected]
CAS 6117-80-2 cis-2-Butene-1,4-diol molecular structure lightbox
CAS RN: 6117-80-2

cis-2-Butene-1,4-diol

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 100g In stock Inquiry
Batchno.20250207 2.5kg In stock Inquiry
Batchno.20250505 250g In stock Inquiry
Batchno.20260610 25g In stock Inquiry
Batchno.20250505 500g In stock Inquiry
Batchno.20250618 5kg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 25g / 100g / 500g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-169949
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 6117-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

6117-80-2 / but-2-ene-1,4-diol

Standard CAS: 6117-80-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6117-80-2
Multi CAS
Yes
Molecular Formula
C4H8O2
Molecular Weight
88.110000
Exact Mass
88.052429
InChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKey
ORTVZLZNOYNASJ-UHFFFAOYSA-N

Physical Properties

Melting Point
7 °C (45 °F)
Boiling Point
141-149 °C AT 20 MM HG
Density
1.067-1.074
Physical Description
Nearly colorless, odorless liquid; [HSDB] Faintly yellow-green clear viscous liquid
Appearance
ALMOST COLORLESS LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.31
TPSA
40.46

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.43
XLogP3
-0.8
Consensus LogP
-0.57
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.08
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.59

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us