[email protected]
CAS 115-22-0 3-Hydroxy-3-methyl-2-butanone molecular structure lightbox
CAS RN: 115-22-0

3-Hydroxy-3-methyl-2-butanone

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
  • Product code: SSC-014679
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: 25g, 100g
  • Available purity: ＞97%
  • 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 115-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

115-22-0 / 3-hydroxy-3-methylbutan-2-one

3-HYDROXY-3-METHYL-2-BUTANONE | 3-hydroxy-3-methylbutan-2-one | 2-Butanone, 3-hydroxy-3-methyl-

Standard CAS: 115-22-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
115-22-0
Multi CAS
Yes
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
SMILES
CC(=O)C(C)(C)O
InChI
InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
InChIKey
BNDRWEVUODOUDW-UHFFFAOYSA-N
Synonyms
3-HYDROXY-3-METHYL-2-BUTANONE 3-hydroxy-3-methylbutan-2-one 2-Butanone, 3-hydroxy-3-methyl- 3-Methylacetoin Methylacetoin

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.98
TPSA
37.3

LogP / Solubility

WLOGP
0.35
MLOGP
0.29
XLogP3
-0.1
Consensus LogP
0.18
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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)
-3.1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Customers Also Viewed

Get In Touch

Contact Us