Hexyl cyanoacetate (CAS 13361-53-0) — formula C9H15NO2, molecular weight 169.22; category organic chemicals.
| CAS Number | 13361-53-0 |
|---|---|
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.22 |
| LogP | 2.3 |
| Category | Organic Chemicals |
Hexyl cyanoacetate is a carbon-based organic compound with CAS registry number 13361-53-0 and molecular formula C9H15NO2 (molecular weight 169.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13361-53-0
Its molecular formula C9H15NO2 comprises 9 C, 15 H, 1 N, 2 O atoms.
Also known as: Hexyl cyanoacetate · 氰乙酸己酯
Category: organic chemicals
The CAS registry number of Hexyl cyanoacetate is 13361-53-0.
Molecular formula C9H15NO2, molecular weight 169.22.
It is also registered under: Hexyl cyanoacetate, 氰乙酸己酯.
Category: Organic Chemicals.
Independent reference data for Hexyl cyanoacetate (CAS 13361-53-0), compiled from public chemistry databases.
| CAS Registry Number | 13361-53-0 |
|---|---|
| PubChem CID | 25920 |
| Molecular formula | C9H15NO2 |
| IUPAC name | hexyl 2-cyanoacetate |
| UNII (FDA) | MQD7W48M8Y |
| Molecular Weight | 169.22 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 169.110278721 |
| Monoisotopic Mass | 169.110278721 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 12 |
Hexyl cyanoacetate; hexyl 2-cyanoacetate; 13361-53-0; n-hexyl cyanoacetate; ACETIC ACID, CYANO-, HEXYL ESTER; EINECS 236-426-0; MQD7W48M8Y; BRN 2961984; AI3-07427; DTXSID30158200; RefChem:788290; DTXCID7080691; 236-426-0; Acetic acid, 2-cyano-,hexyl ester; MFCD00129129; cyanoacetic acid hexyl ester
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Hexyl cyanoacetate · CAS 13361-53-0 · C9H15NO2. UNII MQD7W48M8Y.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氰乙酸己酯