Isobutyl angelate (CAS 7779-81-9) — formula C9H16O2, molecular weight 156.12 g/mol; category food flavors.
Isobutyl angelate (CAS 7779-81-9) is a food flavors. Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms. Its molecular weight is about 156.12 g/mol. Reported physicochemical data: boiling point around 176.00 to 177.00 °C. @ 760.00 mm Hg, LogP about 2.9. 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 | 7779-81-9 |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.12 g/mol |
| Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
| LogP | 2.9 |
| 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.
Isobutyl angelate is a flavoring compound with CAS registry number 7779-81-9 and molecular formula C9H16O2 (molecular weight 156.12 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 7779-81-9
Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms.
Also known as: Isobutyl angelate · 当归酸异丁酯
Category: food flavors
The CAS registry number of Isobutyl angelate is 7779-81-9.
Molecular formula C9H16O2, molecular weight 156.12 g/mol.
It is also registered under: Isobutyl angelate, 当归酸异丁酯.
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 Isobutyl angelate (CAS 7779-81-9), compiled from public chemistry databases.
| CAS Registry Number | 7779-81-9 |
|---|---|
| PubChem CID | 5367807 |
| Molecular formula | C9H16O2 |
| Molecular weight | 156.12 g/mol |
| IUPAC name | 2-methylpropyl (Z)-2-methylbut-2-enoate |
| InChIKey | XDEGQMQKHFPBEW-YVMONPNESA-N |
| UNII (FDA) | 7OR98SJS39 |
| ChEBI ID | CHEBI:171755 |
| FEMA number | 2180 |
| JECFA number | 1213 |
| Molecular Weight | 156.22 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 156.115029749 |
| Monoisotopic Mass | 156.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 176-177 °C |
| Density | 0.874-0.880 |
| Refractive Index | 1.438-1.446 |
Isobutyl angelate; 7779-81-9; (Z)-isobutyl 2-methylbut-2-enoate; 2-methylpropyl (Z)-2-methylbut-2-enoate; Angelic acid, isobutyl ester; FEMA No. 2180; Isobutyl cis-2-methyl-2-butenoate; 2-methylpropyl (2Z)-2-methylbut-2-enoate; Isobutyl 2-methylisocrotonate; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2Z)-; 7OR98SJS39; 2-Methylpropyl 2-methyl-2-butenoate, (Z)-; 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-; Isobutyl 2-methylcrotonoate, (Z)-; EINECS 231-941-7; Crotonic acid, 2-methyl-, isobutyl ester, (Z)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 85.1% (235 / 276) |
| GHS notification summary | 85.1% (235 / 276) |
|---|---|
| Reported hazard statements | H226 (14.9%) |
This chemical does not meet GHS hazard criteria for 85.1% (235 of 276) of all reports.
H226 (14.9%): Flammable liquid and vapor [Warning Flammable liquids]
Isobutyl angelate is identified by CAS 7779-81-9, molecular formula C9H16O2 and molecular weight 156.12 g/mol. UNII 7OR98SJS39; ChEBI 171755; InChIKey XDEGQMQKHFPBEW-YVMONPNESA-N. Boiling Point: 176.00 to 177.00 °C. @ 760.00 mm Hg; Boiling Point: 176-177 °C; Density: 0.874-0.880.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 当归酸异丁酯