辛酸异戊酯，CAS 登记号 2035-99-6，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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本页已列出 辛酸异戊酯 的 CAS 号：2035-99-6，可与随货 COA 核对。
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Isoamyl octanoate is identified by CAS 2035-99-6, molecular formula C13H26O2 and molecular weight 214.19 g/mol. UNII 2EX40079OL; ChEBI 87536; InChIKey XKWSWANXMRXDES-UHFFFAOYSA-N. Boiling Point: 267.00 to 268.00 °C. @ 760.00 mm Hg; Boiling Point: 267-268 °C; Density: 0.855-0.861.
| CAS Registry Number | 2035-99-6 |
|---|---|
| PubChem CID | 16255 |
| Molecular formula | C13H26O2 |
| Molecular weight | 214.19 g/mol |
| IUPAC name | 3-methylbutyl octanoate |
| InChIKey | XKWSWANXMRXDES-UHFFFAOYSA-N |
| UNII (FDA) | 2EX40079OL |
| ChEBI ID | CHEBI:87536 |
| FEMA number | 2080 |
| JECFA number | 47 |
| Molecular Weight | 214.34 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 214.193280068 |
| Monoisotopic Mass | 214.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Boiling Point | 267.00 to 268.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 267-268 °C |
| Density | 0.855-0.861 |
| Refractive Index | 1.425-1.429 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 74.3% (159 / 214) |
| GHS notification summary | 74.3% (159 / 214) |
|---|---|
| Reported hazard statements | H315 (25.7%), H319 (24.8%), H335 (23.8%) |
This chemical does not meet GHS hazard criteria for 74.3% (159 of 214) of all reports.
H315 (25.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Isopentyl octanoate; Isoamyl octanoate; 3-METHYLBUTYL OCTANOATE; Isoamyl caprylate; Octanoic acid, 3-methylbutyl ester; Isoamyl octanoate (natural); octanoic acid isopentyl ester; EINECS 218-004-8; UNII-2EX40079OL; BRN 1767760; AI3-01827; 2EX40079OL; WE(4:0(3Me)/8:0); DTXSID7062114; ISOAMYL OCTANOATE [FHFI]; CHEBI:87536
CAS 2035-99-6; molecular formula C13H26O2; molecular weight 214.19 g/mol.
Isopentyl octanoate, Isoamyl octanoate, 3-METHYLBUTYL OCTANOATE, Isoamyl caprylate, Octanoic acid, 3-methylbutyl ester, Isoamyl octanoate (natural).
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
74.3% of GHS notifications report no hazard classification (159 of 214).
Boiling Point: 267.00 to 268.00 °C. @ 760.00 mm Hg; Boiling Point: 267-268 °C; Density: 0.855-0.861; Refractive Index: 1.425-1.429.
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.