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CAS 110-64-5 2-Butene-1,4-diol molecular structure lightbox
CAS RN: 110-64-5

2-Butene-1,4-diol

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 100g In stock Shanghai, Guangdong, Hebei Inquiry
Batchno.20250916 10kg In stock Shanghai Inquiry
Batchno.20251109 2.5kg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250324 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250925 500g In stock Shanghai, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-011258
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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 110-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

110-64-5 / but-2-ene-1,4-diol

2-Butene-1,4-diol | DTXSID9026849 | Butenediol

Standard CAS: 110-64-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110-64-5
Multi CAS
Yes
Molecular Formula
C4H8O2
Molecular Weight
88.110000
Exact Mass
88.052429
SMILES
C(C=CCO)O
InChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKey
ORTVZLZNOYNASJ-UHFFFAOYSA-N
Synonyms
2-Butene-1,4-diol DTXSID9026849 Butenediol 1,4-DIHYDROXY-2-BUTENE Agrisynth B2D

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (84.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P270, P273, P301+P317, P330, and P501

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