Methyl octyne carbonate (CAS 111-80-8) — formula C10H16O2, molecular weight 168.12 g/mol.
Methyl octyne carbonate is a chemical compound with CAS registry number 111-80-8 and molecular formula C10H16O2 (molecular weight 168.12 g/mol).
CAS number: 111-80-8
Its molecular formula C10H16O2 comprises 10 C, 16 H, 2 O atoms.
Also known as: Methyl octyne carbonate · Methyl 2-nonynoate
The CAS registry number of Methyl octyne carbonate is 111-80-8.
Molecular formula C10H16O2, molecular weight 168.12 g/mol.
It is also registered under: Methyl octyne carbonate, Methyl 2-nonynoate.
Public-database records for Methyl octyne carbonate (CAS 111-80-8), reproduced here for independent cross-checking.
| 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]
| 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 |
|---|
| 沸点 | 121.00 to 122.00 °C. @ 20.00 mm Hg |
|---|---|
| 沸点 | 121-122 °C (20 mm Hg) |
| 密度 | 0.913-0.916 |
| 折射率 | 1.445-1.451 |
| CAS Registry Number | 111-80-8 |
|---|---|
| PubChem CID | 8137 |
| 分子式 | C10H16O2 |
| 分子量 | 168.12 g/mol |
| IUPAC 名称 | methyl non-2-ynoate |
| InChIKey | NTLJTUMJJWVCTL-UHFFFAOYSA-N |
| UNII（FDA） | 8RN66UR57V |
| ChEBI 编号 | CHEBI:51749 |
| FEMA 编号 | 2726 |
| JECFA 编号 | 1356 |
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
| 分子量 | 168.23 |
|---|---|
| XLogP3 | 3.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 168.115029749 |
| 单同位素质量 | 168.115029749 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
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. 沸点: 121.00 to 122.00 °C. @ 20.00 mm Hg; 沸点: 121-122 °C (20 mm Hg); 密度: 0.913-0.916.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.