3,5,5-Trimethylhexanoic acid (CAS 3302-10-1) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
| CAS Number | 3302-10-1 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| LogP | 2.8 |
| Category | Organic Chemicals |
3,5,5-Trimethylhexanoic acid is a carbon-based organic compound with CAS registry number 3302-10-1 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3302-10-1
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: 3,5,5-Trimethylhexanoic acid · 异壬酸（3,5,5三甲基己酸）
Category: organic chemicals
The CAS registry number of 3,5,5-Trimethylhexanoic acid is 3302-10-1.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: 3,5,5-Trimethylhexanoic acid, 异壬酸（3,5,5三甲基己酸）.
Category: Organic Chemicals.
Independent reference data for 3,5,5-Trimethylhexanoic acid (CAS 3302-10-1), compiled from public chemistry databases.
| CAS 号 | 3302-10-1 |
|---|---|
| PubChem CID | 90960 |
| 分子式 | C9H18O2 |
| IUPAC 名称 | 3,5,5-trimethylhexanoic acid |
| UNII（FDA） | AW943Q219O |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 11 |
| Vapor Pressure | 0.23 [mmHg] |
|---|
3,5,5-Trimethylhexanoic acid; 3302-10-1; Hexanoic acid, 3,5,5-trimethyl-; DTXSID6029254; KYOWANOIC N; EINECS 221-975-0; DTXCID409254; ISONONANIOC ACID; ISONONANOIC-ACID; AW943Q219O; NSC 52185; NSC-52185; AI3-22275; 3/5/5-TRIMETHYLHEXANOIC ACID; EC 221-975-0; Cekanoic C9 Acid
| GHS 通报统计 | 0.9% (8 / 870) |
|---|
| GHS 通报统计 | 0.9% (8 / 870) |
|---|---|
| 已通报的危害声明 | H302 (98.5%), H315 (39%), H318 (37.8%), H319 (61.3%) |
异壬酸（3,5,5三甲基己酸） · CAS 3302-10-1 · C9H18O2. UNII AW943Q219O. Vapor Pressure: 0.23 [mmHg].
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异壬酸（3,5,5三甲基己酸）