Methyl octyne carbonate（CAS 111-80-8）：分子式 C10H16O2、分子量 168.12 g/mol。
| CAS号 | 111-80-8 |
|---|---|
| 分子式 | C10H16O2 |
| 分子量 | 168.12 g/mol |
| 沸点 | 121.00 to 122.00 °C. @ 20.00 mm Hg |
| LogP | 3.7 |
Methyl octyne carbonate 是一种化工化合物，登记 CAS 号为 111-80-8，分子式 C10H16O2（分子量 168.12 g/mol）。
登记 CAS 号：111-80-8
其分子式 C10H16O2 由 10 个碳、16 个氢、2 个氧 组成。
别名/同义词：Methyl octyne carbonate · Methyl 2-nonynoate
Methyl octyne carbonate 的 CAS 登记号为 111-80-8。
分子式 C10H16O2，分子量 168.12 g/mol。
别名/同义词：Methyl octyne carbonate、Methyl 2-nonynoate。
Methyl octyne carbonate（CAS 111-80-8）的独立参考数据，整理自公开化学数据库。
| 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 |
| 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 |
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
| 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 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Methyl octyne carbonate