2-Propanone,1-(methylsulfonyl)

Modify Date: 2025-08-24 19:05:54

2-Propanone,1-(methylsulfonyl) Structure
2-Propanone,1-(methylsulfonyl) structure
Common Name 2-Propanone,1-(methylsulfonyl)
CAS Number 5000-46-4 Molecular Weight 136.17000
Density 1.208g/cm3 Boiling Point 300.8ºC at 760mmHg
Molecular Formula C4H8O3S Melting Point 48-52 °C(lit.)
MSDS Chinese USA Flash Point >230 °F

 Names

Name methylsulfonylacetone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.208g/cm3
Boiling Point 300.8ºC at 760mmHg
Melting Point 48-52 °C(lit.)
Molecular Formula C4H8O3S
Molecular Weight 136.17000
Flash Point >230 °F
Exact Mass 136.01900
PSA 59.59000
LogP 0.70080
Index of Refraction 1.436
InChIKey NWEYGXQKFVGUFR-UHFFFAOYSA-N
SMILES CC(=O)CS(C)(=O)=O

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2914700090

 Synthetic Route

~99%

2-Propanone,1-(methylsulfonyl) Structure

2-Propanone,1-(...

CAS#:5000-46-4

Literature: Yang, Chuanbo; Jin, Qingping; Zhang, Hua; Liao, Jian; Zhu, Jin; Yu, Bin; Deng, Jingen Green Chemistry, 2009 , vol. 11, # 9 p. 1401 - 1405

~74%

2-Propanone,1-(methylsulfonyl) Structure

2-Propanone,1-(...

CAS#:5000-46-4

Literature: Gladkov, Eugene S.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.; Shishkina, Svetlana V.; Dallinger, Doris; Kappe, C. Oliver Heterocycles, 2007 , vol. 73, # C p. 469 - 480

~92%

2-Propanone,1-(methylsulfonyl) Structure

2-Propanone,1-(...

CAS#:5000-46-4

Literature: Suryakiran; Reddy, T. Srikanth; Ashalatha; Lakshman; Venkateswarlu Tetrahedron Letters, 2006 , vol. 47, # 23 p. 3853 - 3856

~%

2-Propanone,1-(methylsulfonyl) Structure

2-Propanone,1-(...

CAS#:5000-46-4

Literature: Douglass,I.B. et al. Journal of Organic Chemistry, 1967 , vol. 32, p. 324 - 326

~%

2-Propanone,1-(methylsulfonyl) Structure

2-Propanone,1-(...

CAS#:5000-46-4

Literature: Cowie; Gibson Journal of the Chemical Society, 1934 , p. 46

~%

2-Propanone,1-(methylsulfonyl) Structure

2-Propanone,1-(...

CAS#:5000-46-4

Literature: Boehme; Fischer Chemische Berichte, 1943 , vol. 76, p. 99,104

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 2-Propanone,1-(methylsulfonyl)Bioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

1-methylsulfonylpropan-2-one
Methanesulfonylacetone
EINECS 225-665-6
1-(Methylsulfonyl)-2-propanone
MFCD00014745
Methylsulfonylacetone
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