Neoheptanoic acid (CAS 33113-10-9) — formula C7H14O2, molecular weight 130.18; category organic chemicals.
| CAS Number | 33113-10-9 |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.18 |
| LogP | 1.8 |
| Category | Organic Chemicals |
Neoheptanoic acid is a carbon-based organic compound with CAS registry number 33113-10-9 and molecular formula C7H14O2 (molecular weight 130.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 33113-10-9
Its molecular formula C7H14O2 comprises 7 C, 14 H, 2 O atoms.
Also known as: Neoheptanoic acid · 新庚酸
Category: organic chemicals
The CAS registry number of Neoheptanoic acid is 33113-10-9.
Molecular formula C7H14O2, molecular weight 130.18.
It is also registered under: Neoheptanoic acid, 新庚酸.
Category: Organic Chemicals.
Independent reference data for Neoheptanoic acid (CAS 33113-10-9), compiled from public chemistry databases.
| CAS Registry Number | 33113-10-9 |
|---|---|
| PubChem CID | 14237 |
| Molecular formula | C7H14O2 |
| IUPAC name | 4,4-dimethylpentanoic acid |
| UNII (FDA) | JN8N5LSU6J |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 130.099379685 |
| Monoisotopic Mass | 130.099379685 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 9 |
4,4-dimethylpentanoic acid; 1118-47-4; Pentanoic acid, 4,4-dimethyl-; DTXSID30880579; RefChem:507455; DTXCID309844; 827-415-7; Neoheptanoic acid; 4,4-dimethyl valeric acid; 4,4-dimethyl-pentanoic acid; MFCD00101613; 4,4-DIMETHYLVALERIC ACID; NSC-65454; 4,4-DIMETHYLPENTANOICACID; C6-8-Neocarboxylic acids; JN8N5LSU6J
| Reported hazard statements | H315 (60%), H318 (40%), H319 (60%), H335 (60%) |
|---|
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Neoheptanoic acid · CAS 33113-10-9 · C7H14O2. UNII JN8N5LSU6J.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 新庚酸