丙酸橙花酯(CAS 105-91-9):分子式 C13H22O2、分子量 210.31。
| CAS号 | 105-91-9 |
|---|---|
| 分子式 | C13H22O2 |
| 分子量 | 210.31 |
| 沸点 | 233.00 °C. @ 760.00 mm Hg |
| LogP | 3.9 |
| 应用领域 | Fragrance Ingredients |
登记用途:Fragrance Ingredients。
丙酸橙花酯 是一种化工化合物,登记 CAS 号为 105-91-9,分子式 C13H22O2(分子量 210.31)。
登记 CAS 号:105-91-9
其分子式 C13H22O2 由 13 个碳、22 个氢、2 个氧 组成。
别名/同义词:丙酸橙花酯 · NERYL PROPIONATE
丙酸橙花酯 的 CAS 登记号为 105-91-9。
分子式 C13H22O2,分子量 210.31。
别名/同义词:丙酸橙花酯、NERYL PROPIONATE。
登记用途:Fragrance Ingredients。
丙酸橙花酯(CAS 105-91-9)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 105-91-9 |
|---|---|
| PubChem CID | 5365982 |
| Molecular formula | C13H22O2 |
| Molecular weight | 210.16 g/mol |
| IUPAC name | [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate |
| InChIKey | BYCHQEILESTMQU-XFXZXTDPSA-N |
| UNII (FDA) | FAS39QE02Z |
| ChEBI ID | CHEBI:174072 |
| FEMA number | 2777 |
| JECFA number | 63 |
| Molecular Weight | 210.31 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 210.161979940 |
| Monoisotopic Mass | 210.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 233.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 233 °C |
| Density | 0.89-0.91 (d20/4) |
| Refractive Index | 1.45-1.47 |
Neryl propionate; Neryl propanoate; 105-91-9; Propionic acid, neryl ester; FEMA No. 2777; Neryl propionate (natural); [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; UNII-FAS39QE02Z; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-; EINECS 203-345-7; FAS39QE02Z; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-; (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate; 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
NERYL PROPIONATE is identified by CAS 105-91-9, molecular formula C13H22O2 and molecular weight 210.16 g/mol. UNII FAS39QE02Z; ChEBI 174072; InChIKey BYCHQEILESTMQU-XFXZXTDPSA-N. Boiling Point: 233.00 °C. @ 760.00 mm Hg; Boiling Point: 233 °C; Density: 0.89-0.91 (d20/4).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: NERYL PROPIONATE