isooctyl benzoate (CAS 80640-85-3) — formula C15H22O2, molecular weight 234.33; category organic chemicals.
| CAS Number | 80640-85-3 |
|---|---|
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 |
| LogP | 5.7 |
| Category | Organic Chemicals |
isooctyl benzoate is a carbon-based organic compound with CAS registry number 80640-85-3 and molecular formula C15H22O2 (molecular weight 234.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80640-85-3
Its molecular formula C15H22O2 comprises 15 C, 22 H, 2 O atoms.
Also known as: isooctyl benzoate · 苯甲酸异辛酯
Category: organic chemicals
The CAS registry number of isooctyl benzoate is 80640-85-3.
Molecular formula C15H22O2, molecular weight 234.33.
It is also registered under: isooctyl benzoate, 苯甲酸异辛酯.
Category: Organic Chemicals.
Independent reference data for isooctyl benzoate (CAS 80640-85-3), compiled from public chemistry databases.
| CAS Registry Number | 80640-85-3 |
|---|---|
| PubChem CID | 106593 |
| Molecular formula | C15H22O2 |
| IUPAC name | 6-methylheptyl benzoate |
| UNII (FDA) | NS00063373 |
| Molecular Weight | 234.33 |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 234.161979940 |
| Monoisotopic Mass | 234.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 17 |
6-Methylheptyl benzoate; Isooctyl benzoate; Benzoic acid, isooctyl ester; 68109-80-8; 80640-85-3; 1-Heptanol, 6-methyl-, benzoate; EINECS 279-525-4; 1-Heptanol, 6-methyl-, 1-benzoate; EINECS 268-491-6; SCHEMBL3031699; DTXSID60887152; ONAJCHYEVMVJQN-UHFFFAOYSA-N; NS00063373
isooctyl benzoate · CAS 80640-85-3 · C15H22O2. UNII NS00063373.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯甲酸异辛酯