异丁酸己酯(CAS 2349-07-7):分子式 C10H20O2、分子量 172.26。
| CAS号 | 2349-07-7 |
|---|---|
| 分子式 | C10H20O2 |
| 分子量 | 172.26 |
| 沸点 | 198.00 to 199.00 °C. @ 760.00 mm Hg |
| LogP | 3.5 |
异丁酸己酯 是一种化工化合物,登记 CAS 号为 2349-07-7,分子式 C10H20O2(分子量 172.26)。
登记 CAS 号:2349-07-7
其分子式 C10H20O2 由 10 个碳、20 个氢、2 个氧 组成。
别名/同义词:异丁酸己酯 · hexyl isobutyrate
异丁酸己酯 的 CAS 登记号为 2349-07-7。
分子式 C10H20O2,分子量 172.26。
别名/同义词:异丁酸己酯、hexyl isobutyrate。
异丁酸己酯(CAS 2349-07-7)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 2349-07-7 |
|---|---|
| PubChem CID | 16872 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | hexyl 2-methylpropanoate |
| InChIKey | CYHBDKTZDLSRMY-UHFFFAOYSA-N |
| UNII (FDA) | 5FC79GHU69 |
| ChEBI ID | CHEBI:179553 |
| FEMA number | 3172 |
| JECFA number | 189 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 198.00 to 199.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 199 °C |
| Density | 0.852-0.876 |
| Refractive Index | 1.399-1.421 |
Hexyl isobutyrate; 2349-07-7; HEXYL 2-METHYLPROPANOATE; Propanoic acid, 2-methyl-, hexyl ester; Hexyl isobutanoate; n-Hexyl isobutyrate; 1-Hexyl isobutyrate; Isobutyric acid, hexyl ester; n-Hexyl isobutanoate; Hexyl 2-methylpropionate; FEMA No. 3172; DTXSID2047519; Hexyl isobutyrate (natural); NSC 46108; 5FC79GHU69; EINECS 219-075-8
| 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 | 99.1% (1615 / 1629) |
| GHS notification summary | 99.1% (1615 / 1629) |
|---|
This chemical does not meet GHS hazard criteria for 99.1% (1615 of 1629) of all reports.
Reported as not meeting GHS hazard criteria by 1615 of 1629 companies (only 0.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
hexyl isobutyrate is identified by CAS 2349-07-7, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 5FC79GHU69; ChEBI 179553; InChIKey CYHBDKTZDLSRMY-UHFFFAOYSA-N. Boiling Point: 198.00 to 199.00 °C. @ 760.00 mm Hg; Boiling Point: 199 °C; Density: 0.852-0.876.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: hexyl isobutyrate