Basic information
- CAS
33697-53-9- Standard SMILES
CCOC(=O)C(C)(CC)C(C)=O- InChIKey
NWMTWESXONQJPU-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Ethyl 2-Ethyl-2-methylacetoacetate
- IUPAC
- ethyl 2-ethyl-2-methyl-3-oxobutanoate
- English name
- 2-ETHYL-2-METHYLACETOACETIC ACID ETHYL ESTER
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
33697-53-9Ethyl 2-Ethyl-2-methylacetoacetateDTXSID30342501RefChem:1084799DTXCID50293581Ethyl 2-ethyl-2-methyl-3-oxobutanoate2-Ethyl-2-methylacetoacetic Acid Ethyl EsterMFCD00191433Ethyl 2-ethyl-2-methyl-3-oxobutyrateSCHEMBL2316349NWMTWESXONQJPU-UHFFFAOYSA-NWMTWESXONQJPU-UHFFFAOYSA-N
Show more names
Ethyl2-Ethyl-2-methylacetoacetate>2-ETHYL-2-METHYLACETOACETIC ACID ETHYL ESTER2-ETHYL-2-METHYLACETOACETIC ACID ETHYL ESTER 93+%Butanoic acid, 2-ethyl-2-methyl-3-oxo-, ethyl ester
Ethyl2-ethyl-2-methyl-3-oxobutanoateethyl 2-ethyl-2-methyl-3-oxo-butanoateEthyl 2-ethyl-2-methyl-3-oxobutanoate #CS-0451246E0437D90516InChI=1/C9H16O3/c1-5-9(4,7(3)10)8(11)12-6-2/h5-6H2,1-4H3
Database identifiers
- CAS
33697-53-9- PubChem CID
- 582452
- DTXSID
DTXSID30342501- Nikkaji
- J534.085C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 199 °C · 199 °C
- Density
- 0 · 0,98 g/cm3
- refractive index
- 1.423 · 1.4230-1.4270
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- CAS DataBase Reference
- 33697 · 33697-53-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2918.3 · 2918.30.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918.30.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers23 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都零六生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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