Methoxyacetone

HCID 22172
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Basic information

CAS
5878-19-3
Standard SMILES
COCC(C)=O
InChIKey
CUZLJOLBIRPEFB-UHFFFAOYSA-N
Molecular formula
C4H8O2
Average molar mass
88.11 g/mol
Monoisotopic mass
88.0524295

Names & identifiers

Preferred name
Methoxyacetone
IUPAC
1-methoxypropan-2-one
English name
Methoxyacetone
Molecular formula
C4H8O2
Molecular weight
88.11

Names & synonyms

Methoxyacetone1-methoxypropan-2-oneMethoxy-2-propanone2-PROPANONE, 1-METHOXY-methoxyacetonBRN 1560175ZHQ6G2H7L3EINECS 227-549-0AI3-37789CH3COCH2OCH3.ALPHA.-METHOXYACETONEDTXSID0064048
Show more names
1-Methoxy-2-propanone1-methoxy-2-propanonMethoxymethyl methyl ketoneMethoxyacetoneDISCONTINUED 10/03/02
4-01-00-03977 (Beilstein Handbook Reference)alpha-methoxyacetoneRefChem:157059DTXCID3042471227-549-0CUZLJOLBIRPEFB-UHFFFAOYSA-NInChI=1/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H5878-19-3

Database identifiers

CAS
5878-19-3
PubChem CID
22172
DTXSID
DTXSID0064048
UNII
ZHQ6G2H7L3
EC Number
227-549-0
Nikkaji
J69.882B

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
78 C · 78C
Boiling point
118 °C · 118 °C(lit.)
Density
0.957 g/mL · 0.957 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.397(lit.)
Flash point
77 °F · 77 °F
storage temp.
Flammables area

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (61.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Propanone, 1-methoxy-

Methoxyacetone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (61.6%)

Safety data

wgk
3
tsca
TSCA listed
rtecs
UC2988600
ridadr
UN 1224 3/PG 3
hs_code
29145090
risk_code
10

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propanone, 1-methoxy-: ACTIVE
Applications · 3 items

UsesMethoxyacetone was used in the synthesis of doubly borylated enolates.

UsesMethoxyacetone is used in the bio-amination of ketones in organic solvents.

General DescriptionThe gas-phase basicity of methoxyacetone was studied.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

39 records
New reaction record

Compound notes

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