Isoamyl benzoate (CAS 94-46-2) — formula C12H16O2, molecular weight 192.12 g/mol; category food flavors.
Isoamyl benzoate (CAS 94-46-2) is a chemical raw material in the food flavors category. Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms. Its molecular weight is about 192.12 g/mol. Reported physicochemical data: boiling point around 261.00 to 262.00 °C. @ 760.00 mm Hg, LogP about 4.15. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 94-46-2 |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.12 g/mol |
| Boiling Point | 261.00 to 262.00 °C. @ 760.00 mm Hg |
| LogP | 4.15 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Isoamyl benzoate is a flavoring compound with CAS registry number 94-46-2 and molecular formula C12H16O2 (molecular weight 192.12 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 94-46-2
Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.
Also known as: Isoamyl benzoate · 苯甲酸异戊酯
Category: food flavors
The CAS registry number of Isoamyl benzoate is 94-46-2.
Molecular formula C12H16O2, molecular weight 192.12 g/mol.
It is also registered under: Isoamyl benzoate, 苯甲酸异戊酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Isoamyl benzoate (CAS 94-46-2), compiled from public chemistry databases.
| CAS Registry Number | 94-46-2 |
|---|---|
| PubChem CID | 7193 |
| Molecular formula | C12H16O2 |
| Molecular weight | 192.12 g/mol |
| IUPAC name | 3-methylbutyl benzoate |
| InChIKey | MLLAPOCBLWUFAP-UHFFFAOYSA-N |
| UNII (FDA) | 0AY72CK43K |
| ChEBI ID | CHEBI:179910 |
| FEMA number | 2058 |
| JECFA number | 857 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 261.00 to 262.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 261 °C |
| Density | 0.984-0.992 |
| LogP | 4.15 |
| LogP | 4.1 |
| Refractive Index | 1.491-1.497 |
Isoamyl benzoate; Isopentyl benzoate; 94-46-2; 3-Methylbutyl benzoate; 1-Butanol, 3-methyl-, benzoate; Isopentyl alcohol, benzoate; 1-(3-Methyl)butyl benzoate; 3-Methyl-1-butyl benzoate; BENZOIC ACID, ISOPENTYL ESTER; Benzoic acid, 1-(3-methyl)butyl ester; FEMA No. 2058; Isoamyl benzoate (natural); NSC 9284; 1-Butanol, 3-methyl-, 1-benzoate; DTXSID8047185; EINECS 202-334-4
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Balsamic No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 85.7% (84 / 98) |
| GHS notification summary | 85.7% (84 / 98) |
|---|---|
| Reported hazard statements | H411 (11.2%) |
This chemical does not meet GHS hazard criteria for 85.7% (84 of 98) of all reports.
H411 (11.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Isoamyl benzoate is identified by CAS 94-46-2, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII 0AY72CK43K; ChEBI 179910; InChIKey MLLAPOCBLWUFAP-UHFFFAOYSA-N. Boiling Point: 261.00 to 262.00 °C. @ 760.00 mm Hg; Boiling Point: 261 °C; Density: 0.984-0.992.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯甲酸异戊酯