n-Amyl benzoate (CAS 2049-96-9) — formula C12H16O2, molecular weight 192.25; category organic chemicals.
Documented applications: Uses: CIR ingredient: Amyl Benzoate, Use Classification: Fragrance Ingredients, Cosmetics -> Masking, Solvent, General Manufacturing Information: Benzoic acid, pentyl ester: ACTIVE.
n-Amyl benzoate is a carbon-based organic compound with CAS registry number 2049-96-9 and molecular formula C12H16O2 (molecular weight 192.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2049-96-9
Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.
Also known as: n-Amyl benzoate · AMYL BENZOATE
Category: organic chemicals
The CAS registry number of n-Amyl benzoate is 2049-96-9.
Molecular formula C12H16O2, molecular weight 192.25.
It is also registered under: n-Amyl benzoate, AMYL BENZOATE.
Recorded applications: Uses: CIR ingredient: Amyl Benzoate, Use Classification: Fragrance Ingredients, Cosmetics -> Masking, Solvent, General Manufacturing Information: Benzoic acid, pentyl ester: ACTIVE.
Category: Organic Chemicals.
Public-database records for n-Amyl benzoate (CAS 2049-96-9), reproduced here for independent cross-checking.
| GHS notification summary | 85.5% (236 / 276) |
|---|---|
| Reported hazard statements | H411 (14.1%) |
This chemical does not meet GHS hazard criteria for 85.5% (236 of 276) of all reports.
H411 (14.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents CIR / INCI: Cosmetic ingredients (Amyl Benzoate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Masking; Solvent |
|---|---|
| GHS notification summary | 85.5% (236 / 276) |
| CAS Registry Number | 2049-96-9 |
|---|---|
| PubChem CID | 16296 |
| 分子式 | C12H16O2 |
| IUPAC 名称 | pentyl benzoate |
| UNII（FDA） | CLE7K4B29S |
PENTYL BENZOATE; Amyl benzoate; 2049-96-9; n-Pentyl benzoate; Benzoic acid, pentyl ester; n-Amyl benzoate; EINECS 218-077-6; CLE7K4B29S; BRN 2046708; AI3-07998; DTXSID2051849; RefChem:557936; AMYL BENZOATE [INCI]; DTXCID0030405; 218-077-6; MFCD00048843
| 分子量 | 192.25 |
|---|---|
| XLogP3 | 4.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 192.115029749 |
| 单同位素质量 | 192.115029749 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
n-Amyl benzoate · CAS 2049-96-9 · C12H16O2. UNII CLE7K4B29S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.