当归酸异丁酯，CAS 登记号 7779-81-9，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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)-
CAS 7779-81-9; molecular formula C9H16O2; molecular weight 156.12 g/mol.
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.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
85.1% of GHS notifications report no hazard classification (235 of 276).
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.
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.