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 chemical raw material in the food flavors category. 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. 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 | 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.
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: 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 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