醋酸庚酯（CAS 112-06-1）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 112-06-1 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 熔点 | -58.4 °F (USCG, 1999) |
| 沸点 | 378.5 °F at 760 mmHg (USCG, 1999) |
| LogP | 2.9 |
醋酸庚酯 是一种化工化合物，登记 CAS 号为 112-06-1，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：112-06-1
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：醋酸庚酯 · HEPTYL ACETATE
醋酸庚酯 的 CAS 登记号为 112-06-1。
分子式 C9H18O2，分子量 158.24。
别名/同义词：醋酸庚酯、HEPTYL ACETATE。
醋酸庚酯（CAS 112-06-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 112-06-1 |
|---|---|
| PubChem CID | 8159 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | heptyl acetate |
| InChIKey | ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
| UNII (FDA) | 6551B78I5U |
| ChEBI ID | CHEBI:165651 |
| FEMA number | 2547 |
| JECFA number | 129 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 378.5 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 192.00 to 193.00 °C. @ 760.00 mm Hg |
| Boiling Point | 192 °C |
| Melting Point | -58.4 °F (USCG, 1999) |
| Melting Point | -50 °C |
| Flash Point | 154 °F (USCG, 1999) |
| Density | 0.87505(15 °C) |
| Refractive Index | 1.411-1.417 |
Heptyl acetate; Heptanyl acetate; Acetic acid, heptyl ester; 1-Heptyl acetate; N-HEPTYL ACETATE; Acetate C-7; n-Heptyl ethanoate; Heptyl ethanoate; Acetic acid n-heptyl ester; HEPTYLACETATE; n-Heptyl acetate (natural); Heptanol acetate; FEMA No. 2547; EINECS 203-932-8; DTXSID9047124; NSC 3833
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fresh No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.4% (317 / 319) |
| GHS notification summary | 99.4% (317 / 319) |
|---|
This chemical does not meet GHS hazard criteria for 99.4% (317 of 319) of all reports.
Reported as not meeting GHS hazard criteria by 317 of 319 companies (only 0.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
HEPTYL ACETATE is identified by CAS 112-06-1, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 6551B78I5U; ChEBI 165651; InChIKey ZCZSIDMEHXZRLG-UHFFFAOYSA-N. Boiling Point: 378.5 °F at 760 mmHg (USCG, 1999); Boiling Point: 192.00 to 193.00 °C. @ 760.00 mm Hg; Boiling Point: 192 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: HEPTYL ACETATE