Methyl octyne carbonate，CAS 登记号 111-80-8，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Flavors。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 Methyl octyne carbonate 的 CAS 号：111-80-8，可与随货 COA 核对。
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Methyl octyne carbonate is identified by CAS 111-80-8, molecular formula C10H16O2 and molecular weight 168.12 g/mol. UNII 8RN66UR57V; ChEBI 51749; InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N. Boiling Point: 121.00 to 122.00 °C. @ 20.00 mm Hg; Boiling Point: 121-122 °C (20 mm Hg); Density: 0.913-0.916.
| CAS Registry Number | 111-80-8 |
|---|---|
| PubChem CID | 8137 |
| Molecular formula | C10H16O2 |
| Molecular weight | 168.12 g/mol |
| IUPAC name | methyl non-2-ynoate |
| InChIKey | NTLJTUMJJWVCTL-UHFFFAOYSA-N |
| UNII (FDA) | 8RN66UR57V |
| ChEBI ID | CHEBI:51749 |
| FEMA number | 2726 |
| JECFA number | 1356 |
| Molecular Weight | 168.23 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 168.115029749 |
| Monoisotopic Mass | 168.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Boiling Point | 121.00 to 122.00 °C. @ 20.00 mm Hg |
|---|---|
| Boiling Point | 121-122 °C (20 mm Hg) |
| Density | 0.913-0.916 |
| Refractive Index | 1.445-1.451 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (99.6%), H315 (74.8%), H317 (97.8%), H400 (74.9%), H412 (74.9%) |
|---|
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (74.8%): Causes skin irritation [Warning Skin corrosion/irritation]
Methyl 2-nonynoate; Methyl non-2-ynoate; 111-80-8; Methyl octine carbonate; 2-Nonynoic acid methyl ester; 2-NONYNOIC ACID, METHYL ESTER; Methyl octyne carbonate; Methyloctyne carboxylate; Methyloctyne carbonate; Octynecarboxylic acid, methyl ester; FEMA No. 2726; DTXSID3047639; 8RN66UR57V; NSC-72102; DTXCID1027639; CHEBI:51749
CAS 111-80-8; molecular formula C10H16O2; molecular weight 168.12 g/mol.
Methyl 2-nonynoate, Methyl non-2-ynoate, 111-80-8, Methyl octine carbonate, 2-Nonynoic acid methyl ester, 2-NONYNOIC ACID, METHYL ESTER.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H302, H315, H317, H400, H412.
Boiling Point: 121.00 to 122.00 °C. @ 20.00 mm Hg; Boiling Point: 121-122 °C (20 mm Hg); Density: 0.913-0.916; Refractive Index: 1.445-1.451.
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.