Ethyl 1-methylbutyl cyanoacetate (CAS 100453-11-0) — formula C12H21NO2, molecular weight 211.30; category organic chemicals.
| CAS Number | 100453-11-0 |
|---|---|
| Molecular Formula | C12H21NO2 |
| Molecular Weight | 211.30 |
| LogP | 3.5 |
| Category | Organic Chemicals |
Ethyl 1-methylbutyl cyanoacetate is a carbon-based organic compound with CAS registry number 100453-11-0 and molecular formula C12H21NO2 (molecular weight 211.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 100453-11-0
Its molecular formula C12H21NO2 comprises 12 C, 21 H, 1 N, 2 O atoms.
Also known as: Ethyl 1-methylbutyl cyanoacetate · 1-甲基丁基氰基乙酸乙酯
Category: organic chemicals
The CAS registry number of Ethyl 1-methylbutyl cyanoacetate is 100453-11-0.
Molecular formula C12H21NO2, molecular weight 211.30.
It is also registered under: Ethyl 1-methylbutyl cyanoacetate, 1-甲基丁基氰基乙酸乙酯.
Category: Organic Chemicals.
Independent reference data for Ethyl 1-methylbutyl cyanoacetate (CAS 100453-11-0), compiled from public chemistry databases.
| CAS Registry Number | 100453-11-0 |
|---|---|
| PubChem CID | 45489849 |
| Molecular formula | C12H21NO2 |
| IUPAC name | ethyl 2-cyano-2-ethyl-3-methylhexanoate |
| UNII (FDA) | NS00004251 |
| Molecular Weight | 211.30 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 211.157228913 |
| Monoisotopic Mass | 211.157228913 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 15 |
100453-11-0; Ethyl 2-cyano-2-ethyl-3-methylhexanoate; DTXSID80670482; EC 700-063-0; RefChem:138589; DTXCID20621231; 700-063-0; Ethyl 1-methylbutyl cyanoacetate; 2-cyano-2-ethyl-3-methylhexanoic acid ethyl ester; MFCD00799271; Hexanoic acid, 2-cyano-2-ethyl-3-methyl-, ethyl ester; Ethyl2-cyano-2-ethyl-3-methylhexanoate; ethyl 2-cyano-2-ethyl-3-methyl-hexanoate; FOGOQVLUCORCHH-UHFFFAOYSA-N; AKOS015842915; AS-15463
| Reported hazard statements | H315 (100%), H319 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Ethyl 1-methylbutyl cyanoacetate · CAS 100453-11-0 · C12H21NO2. UNII NS00004251.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-甲基丁基氰基乙酸乙酯