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 food flavors. 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. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. 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 | confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Flavors |
Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
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: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
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