甲基庚烯酮(CAS 110-93-0):分子式 C8H14O、分子量 126.20。
| CAS号 | 110-93-0 |
|---|---|
| 分子式 | C8H14O |
| 分子量 | 126.20 |
| 熔点 | FP: -67.1 °C |
| 沸点 | 173 °C @ 760 MM HG |
| LogP | 1.9 |
甲基庚烯酮 是一种化工化合物,登记 CAS 号为 110-93-0,分子式 C8H14O(分子量 126.20)。
登记 CAS 号:110-93-0
其分子式 C8H14O 由 8 个碳、14 个氢、1 个氧 组成。
别名/同义词:甲基庚烯酮 · 6-Methyl-5-hepten-2-one
甲基庚烯酮 的 CAS 登记号为 110-93-0。
分子式 C8H14O,分子量 126.20。
别名/同义词:甲基庚烯酮、6-Methyl-5-hepten-2-one。
甲基庚烯酮(CAS 110-93-0)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 110-93-0 |
|---|---|
| PubChem CID | 9862 |
| Molecular formula | C8H14O |
| Molecular weight | 126.10 g/mol |
| IUPAC name | 6-methylhept-5-en-2-one |
| InChIKey | UHEPJGULSIKKTP-UHFFFAOYSA-N |
| UNII (FDA) | 448353S93V |
| ChEBI ID | CHEBI:16310 |
| FEMA number | 2707 |
| JECFA number | 1120 |
| Molecular Weight | 126.20 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 126.104465066 |
| Monoisotopic Mass | 126.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 173 °C @ 760 MM HG |
|---|---|
| Boiling Point | 72.00 to 73.00 °C. @ 18.00 mm Hg |
| Boiling Point | 173.1 °C |
| Melting Point | FP: -67.1 °C |
| Melting Point | -67 °C |
| Flash Point | 135 °F (57 °C) |
| Solubility | 3351 /mg/L @ 20 °C (exp) |
| Density | 0.8546 @ 16 °C/4 °C |
| Density | 0.846-0.854 |
| Vapor Density | 4.35 (AIR= 1) |
6-METHYL-5-HEPTEN-2-ONE; 6-Methylhept-5-en-2-one; 110-93-0; Sulcatone; METHYL HEPTENONE; 5-HEPTEN-2-ONE, 6-METHYL-; 2-Oxo-6-methylhept-5-ene; FEMA No. 2707; DTXSID5021629; NSC-15294; DTXCID501629; CHEBI:16310; RefChem:818618; DTXSID9027152; 203-816-7; Methylheptenone
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Mushroom, Pepper, Rubber, Strawberry No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1601) |
| GHS notification summary | 0.1% (1 / 1601) |
|---|---|
| Reported hazard statements | H226 (100%), H319 (74.4%), H302 (83.5%), H315 (83.8%), H317 (85.3%), H320, H336 |
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H319 (74.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
6-Methyl-5-hepten-2-one is identified by CAS 110-93-0, molecular formula C8H14O and molecular weight 126.10 g/mol. UNII 448353S93V; ChEBI 16310; InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N. Boiling Point: 173 °C @ 760 MM HG; Boiling Point: 72.00 to 73.00 °C. @ 18.00 mm Hg; Boiling Point: 173.1 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 6-Methyl-5-hepten-2-one