n-Hexyl benzoate (CAS 6789-88-4) — formula C13H18O2, molecular weight 206.28; category organic chemicals.
| CAS Number | 6789-88-4 |
|---|---|
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.28 |
| Boiling Point | 522 °F at 770 mmHg (NTP, 1992) |
| LogP | 4.9 |
| Category | Organic Chemicals |
n-Hexyl benzoate is a carbon-based organic compound with CAS registry number 6789-88-4 and molecular formula C13H18O2 (molecular weight 206.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6789-88-4
Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.
Also known as: n-Hexyl benzoate · HEXYL BENZOATE
Category: organic chemicals
The CAS registry number of n-Hexyl benzoate is 6789-88-4.
Molecular formula C13H18O2, molecular weight 206.28.
It is also registered under: n-Hexyl benzoate, HEXYL BENZOATE.
Category: Organic Chemicals.
Independent reference data for n-Hexyl benzoate (CAS 6789-88-4), compiled from public chemistry databases.
| CAS Registry Number | 6789-88-4 |
|---|---|
| PubChem CID | 23235 |
| Molecular formula | C13H18O2 |
| IUPAC name | hexyl benzoate |
| UNII (FDA) | VR3C36EKJR |
| FEMA number | 3691 |
| JECFA number | 854 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 522 °F at 770 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 272 °C AT 770 MM HG |
| Boiling Point | 272.00 °C. @ 760.00 mm Hg |
| Boiling Point | 272 °C |
| Flash Point | [HSDB] 148 °C |
| Density | 0.978-0.984 |
| Vapor Density | 7.1 |
| Vapor Pressure | 32.0 [mmHg] |
| Refractive Index | 1.490-1.500 |
Hexyl benzoate; Benzoic acid, hexyl ester; N-HEXYL BENZOATE; Benzoic acid n-hexyl ester; Benzoic Acid Hexyl Ester; Hexylbenzoate; UNII-VR3C36EKJR; DTXSID9025403; EINECS 229-856-5; HSDB 6031; BRN 2048117; N-HEXYL BENZOATE [HSDB]; AI3-02064; FEMA 3691; HEXYL BENZOATE [FHFI]; DTXCID505403
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 93.9% (1547 / 1648) |
| GHS notification summary | 93.9% (1547 / 1648) |
|---|
This chemical does not meet GHS hazard criteria for 93.9% (1547 of 1648) of all reports.
Reported as not meeting GHS hazard criteria by 1547 of 1648 companies (only 6.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
n-Hexyl benzoate · CAS 6789-88-4 · C13H18O2. UNII VR3C36EKJR. Boiling Point: 522 °F at 770 mmHg (NTP, 1992); Boiling Point: 272 °C AT 770 MM HG; Boiling Point: 272.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: n-Hexyl benzoate