甲酸芳樟酯(CAS 115-99-1):分子式 C11H18O2、分子量 182.26。
| CAS号 | 115-99-1 |
|---|---|
| 分子式 | C11H18O2 |
| 分子量 | 182.26 |
| 沸点 | 100.00 to 103.00 °C. @ 10.00 mm Hg |
| LogP | 3.3 |
甲酸芳樟酯 是一种化工化合物,登记 CAS 号为 115-99-1,分子式 C11H18O2(分子量 182.26)。
登记 CAS 号:115-99-1
其分子式 C11H18O2 由 11 个碳、18 个氢、2 个氧 组成。
别名/同义词:甲酸芳樟酯 · linalyl formate
甲酸芳樟酯 的 CAS 登记号为 115-99-1。
分子式 C11H18O2,分子量 182.26。
别名/同义词:甲酸芳樟酯、linalyl formate。
甲酸芳樟酯(CAS 115-99-1)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 115-99-1 |
|---|---|
| PubChem CID | 61040 |
| Molecular formula | C11H18O2 |
| Molecular weight | 182.13 g/mol |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl formate |
| InChIKey | JZOCDHMHLGUPFI-UHFFFAOYSA-N |
| UNII (FDA) | 3V67WH3R5N |
| ChEBI ID | CHEBI:195882 |
| FEMA number | 2642 |
| JECFA number | 358 |
| Molecular Weight | 182.26 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 182.130679813 |
| Monoisotopic Mass | 182.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 100.00 to 103.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 202 °C |
| Density | 0.910-0.918 |
| Refractive Index | 1.453-1.458 |
Linalyl formate; 115-99-1; Linalool formate; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, FORMATE; 3,7-Dimethyl-1,6-octadien-3-yl formate; FEMA No. 2642; 3,7-Dimethyl-1,6-octadien-3-ol formate; DTXSID2047642; 3V67WH3R5N; NSC-46116; DTXCID0027642; RefChem:153481; 204-120-6; 3,7-dimethylocta-1,6-dien-3-yl formate; LINOLOOL, FORMATE; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-formate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Coriander No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 19.1% (311 / 1628) |
| GHS notification summary | 19.1% (311 / 1628) |
|---|---|
| Reported hazard statements | H412 (80.9%) |
This chemical does not meet GHS hazard criteria for 19.1% (311 of 1628) of reports.
H412 (80.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
linalyl formate is identified by CAS 115-99-1, molecular formula C11H18O2 and molecular weight 182.13 g/mol. UNII 3V67WH3R5N; ChEBI 195882; InChIKey JZOCDHMHLGUPFI-UHFFFAOYSA-N. Boiling Point: 100.00 to 103.00 °C. @ 10.00 mm Hg; Boiling Point: 202 °C; Density: 0.910-0.918.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: linalyl formate