Benzoicacidethylhexylester (CAS 5444-75-7) — formula C15H22O2, molecular weight 234.33; category organic chemicals.
| CAS Number | 5444-75-7 |
|---|---|
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 |
| Boiling Point | 120-121 °C (3 mm Hg) |
| LogP | 4.5 |
| Category | Organic Chemicals |
Benzoicacidethylhexylester is a carbon-based organic compound with CAS registry number 5444-75-7 and molecular formula C15H22O2 (molecular weight 234.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5444-75-7
Its molecular formula C15H22O2 comprises 15 C, 22 H, 2 O atoms.
Also known as: Benzoicacidethylhexylester · 苯甲酸乙基己酯
Category: organic chemicals
The CAS registry number of Benzoicacidethylhexylester is 5444-75-7.
Molecular formula C15H22O2, molecular weight 234.33.
It is also registered under: Benzoicacidethylhexylester, 苯甲酸乙基己酯.
Category: Organic Chemicals.
Independent reference data for Benzoicacidethylhexylester (CAS 5444-75-7), compiled from public chemistry databases.
| CAS Registry Number | 5444-75-7 |
|---|---|
| PubChem CID | 94310 |
| Molecular formula | C15H22O2 |
| IUPAC name | 2-ethylhexyl benzoate |
| UNII (FDA) | R63ZWW1A13 |
| FEMA number | 4630 |
| JECFA number | 2068 |
| Molecular Weight | 234.33 |
|---|---|
| XLogP3 | 4.5 |
| 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 |
| Boiling Point | 120-121 °C (3 mm Hg) |
|---|---|
| Density | 0.963-0.973 (20 °C) |
| Refractive Index | 1.487-1.497 |
2-Ethylhexyl benzoate; Ethylhexyl benzoate; Benzoic acid, 2-ethylhexyl ester; 2-Ethyl-1-hexanol benzoate; DTXSID4041654; UNII-R63ZWW1A13; R63ZWW1A13; FINSOLV EB; EINECS 226-641-8; NSC 19155; NSC-19155; HI-ESTER B 508; DTXCID2021654; FEMA NO. 4630; EC 226-641-8; 1-HEXANOL, 2-ETHYL-, BENZOATE
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/108 |
|---|---|
| GHS notification summary | 21.8% (49 / 225) |
| GHS notification summary | 21.8% (49 / 225) |
|---|---|
| Reported hazard statements | H360 (13.3%), H413 (18.7%) |
This chemical does not meet GHS hazard criteria for 21.8% (49 of 225) of reports.
H360 (13.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Benzoicacidethylhexylester · CAS 5444-75-7 · C15H22O2. UNII R63ZWW1A13. Boiling Point: 120-121 °C (3 mm Hg); Density: 0.963-0.973 (20 °C); Refractive Index: 1.487-1.497.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯甲酸乙基己酯