mono(2-ethyl-5-oxohexyl)phthalate (CAS 40321-98-0) — formula C16H20O5, molecular weight 292.33; category organic chemicals.
| CAS Number | 40321-98-0 |
|---|---|
| Molecular Formula | C16H20O5 |
| Molecular Weight | 292.33 |
| LogP | 2 |
| Category | Organic Chemicals |
mono(2-ethyl-5-oxohexyl)phthalate is a carbon-based organic compound with CAS registry number 40321-98-0 and molecular formula C16H20O5 (molecular weight 292.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40321-98-0
Its molecular formula C16H20O5 comprises 16 C, 20 H, 5 O atoms.
Also known as: mono(2-ethyl-5-oxohexyl)phthalate · rac-单（2-乙基-5-氧己基）邻苯二甲酸酯
Category: organic chemicals
The CAS registry number of mono(2-ethyl-5-oxohexyl)phthalate is 40321-98-0.
Molecular formula C16H20O5, molecular weight 292.33.
It is also registered under: mono(2-ethyl-5-oxohexyl)phthalate, rac-单（2-乙基-5-氧己基）邻苯二甲酸酯.
Category: Organic Chemicals.
Independent reference data for mono(2-ethyl-5-oxohexyl)phthalate (CAS 40321-98-0), compiled from public chemistry databases.
| CAS 号 | 40321-98-0 |
|---|---|
| PubChem CID | 119096 |
| 分子式 | C16H20O5 |
| IUPAC 名称 | 2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid |
| UNII（FDA） | 7J8J8977X9 |
| Molecular Weight | 292.33 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 292.13107373 |
| Monoisotopic Mass | 292.13107373 |
| Topological Polar Surface Area | 80.7 |
| Heavy Atom Count | 21 |
| Collision Cross Section | 168.35 Ų [M-H]- |
|---|---|
| Collision Cross Section | 170.18 Ų [M+Na]+ |
40321-98-0; Mono(2-ethyl-5-oxohexyl)phthalate; 2-Ethyl-5-oxohexyl Phthalate; Mono(2-ethyl-5-oxohexyl) phthalate; 2-(((2-Ethyl-5-oxohexyl)oxy)carbonyl)benzoic acid; 2-{[(2-ethyl-5-oxohexyl)oxy]carbonyl}benzoic acid; CCRIS 4431; Phthalic Acid Mono(2-ethyl-5-oxohexyl) Ester; 2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid; DTXSID00865994; 7J8J8977X9; Mono(2-ethyl-5-oxohexyl) 1,2-benzenedicarboxylate; CHEBI:132606; 1,2-Benzenedicarboxylic acid, mono(2-ethyl-5-oxohexyl) ester; 1,2-BENZENEDICARBOXYLIC ACID, 1-(2-ETHYL-5-OXOHEXYL) ESTER; MEOHP cpd
rac-单（2-乙基-5-氧己基）邻苯二甲酸酯 · CAS 40321-98-0 · C16H20O5. UNII 7J8J8977X9. Collision Cross Section: 168.35 Ų [M-H]-; Collision Cross Section: 170.18 Ų [M+Na]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: rac-单（2-乙基-5-氧己基）邻苯二甲酸酯