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CAS 5077-67-8 1-HYDROXY-2-BUTANONE molecular structure lightbox
CAS RN: 5077-67-8

1-HYDROXY-2-BUTANONE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 10g In stock Inquiry
Batchno.20260410 1g In stock Inquiry
Batchno.20250720 250mg In stock Inquiry
Batchno.20260528 25g In stock Inquiry
Batchno.20251017 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai, Chongqing Inquiry
  • Product code: SSC-157506
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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: 5g
  • Available purity: ≥95%
  • 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 5077-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

5077-67-8 / 1-hydroxybutan-2-one

Standard CAS: 5077-67-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5077-67-8
Multi CAS
No
Molecular Formula
C4H8O2
Molecular Weight
88.110000
Exact Mass
88.052429
InChI
InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
InChIKey
GFAZHVHNLUBROE-UHFFFAOYSA-N

Physical Properties

Boiling Point
152.00 to 154.00 °C. @ 760.00 mm Hg
Density
1.017-1.022 (20°)
Physical Description
Liquid Colourless liquid; Fruity aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
22.38
TPSA
37.3

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.05
XLogP3
-0.2
Consensus LogP
-0.1
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
Class (SILICOS-IT)
Very 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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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