Isoamyl benzoate (CAS No. 94-46-2) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
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The CAS number of Isoamyl benzoate is 94-46-2.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Flavors.
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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
CAS 94-46-2; molecular formula C12H16O2; molecular weight 192.12 g/mol.
Isoamyl benzoate, Isopentyl benzoate, 94-46-2, 3-Methylbutyl benzoate, 1-Butanol, 3-methyl-, benzoate, Isopentyl alcohol, benzoate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
85.7% of GHS notifications report no hazard classification (84 of 98).
Boiling Point: 261.00 to 262.00 °C. @ 760.00 mm Hg; Boiling Point: 261 °C; Density: 0.984-0.992; LogP: 4.15.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.