Methyl 2-methylacetoacetate

HCID 86508CAS 17094-21-2
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(C)C(C)=O
InChIKey
NDTWZHURUDSPQV-UHFFFAOYSA-N
Molecular formula
C6H10O3
Average molar mass
130.14 g/mol
Monoisotopic mass
130.06299418

Names & identifiers

Preferred name
Methyl 2-methylacetoacetate
IUPAC
methyl 2-methyl-3-oxobutanoate
English name
methyl 2-methylacetoacetate
Molecular formula
C6H10O3
Molecular weight
130.14

Names & synonyms

17094-21-2Methyl 2-methylacetoacetateEINECS 241-161-9NSC 147474RefChem:814541241-161-9Methyl 2-methyl-3-oxobutanoateMFCD00233100Methyl 2-methyl-3-oxobutyrateButanoic acid, 2-methyl-3-oxo-, methyl esterMethyl .alpha.-methylacetoacetate2-methylacetoacetic acid methyl ester
Show more names
Methyl 2-methyl-3-ketobutyratemethyl (2S)-2-methyl-3-oxobutanoate(+/-)-Methyl 2-Methyl-3-oxobutanoate
2-Methyl-3-oxobutanoic acid methyl estermethyl2-methyl-3-oxobutanoate2-Methyl-3-oxobutyric acid methyl esterAcetoacetic acid, 2-methyl-, methyl estermethyl-2-methylacetoacetateMethylacetessigsauremethylesterSCHEMBL858078SCHEMBL7825027

Database identifiers

CAS
17094-21-2
PubChem CID
86508
DTXSID
DTXSID80871972
EC Number
241-161-9
Nikkaji
J100.412C

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Melting point
177 · 177-178℃
Boiling point
177 ℃ · 177℃
Density
1.012 · 1.012
refractive index
1.416 · 1.4160
Flash point
62 ℃ · 62℃
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers15 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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