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CAS 116-09-6 Hydroxyacetone (stabilized with Na2CO3) molecular structure lightbox
CAS RN: 116-09-6

Hydroxyacetone (stabilized with Na2CO3)

  • Product code: SSC-016019
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥85%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥85% 5 In Stock Shanghai Inquiry
100g ≥85% 5 In Stock Shanghai Inquiry
500g ≥85% 4 In Stock Shenzhen Inquiry
1000g ≥85% 2 In Stock Hong Kong Inquiry

116-09-6 / 1-hydroxypropan-2-one

Hydroxyacetone | Acetol | 1-hydroxypropan-2-one

Standard CAS: 116-09-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
116-09-6
Multi CAS
Yes
Molecular Formula
C3H6O2
Molecular Weight
74.080000
Exact Mass
74.036779
SMILES
CC(=O)CO
InChI
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChIKey
XLSMFKSTNGKWQX-UHFFFAOYSA-N
Synonyms
Hydroxyacetone Acetol 1-hydroxypropan-2-one Acetone alcohol 2-Propanone, 1-hydroxy-

Physical Properties

Melting Point
-17 °C
Boiling Point
145.00 to 146.00 °C. @ 760.00 mm Hg
Density
1.079-1.085 (20°)
Physical Description
Colorless liquid with a peculiar odor; [Merck Index] Clear light yellow liquid; Liquid Clear colourless to yellow liquid; Pungent, sweet-caramellic, somewhat choking etheral aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
17.77
TPSA
37.3

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.4
XLogP3
-0.7
Consensus LogP
-0.51
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly 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)
-3.48

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Health Hazard
Signal
Warning
GHS Hazard Statements
H226 (65.1%): Flammable liquid and vapor [Warning Flammable liquids] H341 (16.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501

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