(E)-3,7-二甲基辛基-2,6-二烯-1-基苯甲酸酯(CAS 94-48-4):分子式 C17H22O2、分子量 258.35。
| CAS号 | 94-48-4 |
|---|---|
| 分子式 | C17H22O2 |
| 分子量 | 258.35 |
| 沸点 | 305 °C |
| LogP | 5.1 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2、6-Octadien-1-ol、3、7-dimethyl-、1-benzoate、(2E)-: ACTIVE |
登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2、6-Octadien-1-ol、3、7-dimethyl-、1-benzoate、(2E)-: ACTIVE。
(E)-3,7-二甲基辛基-2,6-二烯-1-基苯甲酸酯 是一种化工化合物,登记 CAS 号为 94-48-4,分子式 C17H22O2(分子量 258.35)。
登记 CAS 号:94-48-4
其分子式 C17H22O2 由 17 个碳、22 个氢、2 个氧 组成。
别名/同义词:(E)-3,7-二甲基辛基-2,6-二烯-1-基苯甲酸酯 · geranyl benzoate
(E)-3,7-二甲基辛基-2,6-二烯-1-基苯甲酸酯 的 CAS 登记号为 94-48-4。
分子式 C17H22O2,分子量 258.35。
别名/同义词:(E)-3,7-二甲基辛基-2,6-二烯-1-基苯甲酸酯、geranyl benzoate。
登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2、6-Octadien-1-ol、3、7-dimethyl-、1-benzoate、(2E)-: ACTIVE。
(E)-3,7-二甲基辛基-2,6-二烯-1-基苯甲酸酯(CAS 94-48-4)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 94-48-4 |
|---|---|
| PubChem CID | 5353011 |
| Molecular formula | C17H22O2 |
| Molecular weight | 258.16 g/mol |
| IUPAC name | [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate |
| InChIKey | YDVXYTIIPGKIJP-NTCAYCPXSA-N |
| UNII (FDA) | B4M42WH83V |
| ChEBI ID | CHEBI:156234 |
| FEMA number | 2511 |
| JECFA number | 860 |
| Molecular Weight | 258.35 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 258.161979940 |
| Monoisotopic Mass | 258.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 19 |
| Boiling Point | 305 °C |
|---|---|
| Density | 0.980-0.990 |
| Refractive Index | 1.514-1.521 |
Geranyl benzoate; 94-48-4; Geraniol benzoate; Benzoic acid, geraniol ester; 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-; FEMA No. 2511; Benzoic acid geranyl ester; [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate; trans-3,7-Dimethyl-2,6-octadien-1-yl benzoate; EINECS 202-337-0; BRN 3119464; B4M42WH83V; AI3-35981; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, BENZOATE, (E)-; (2E)-3,7-dimethylocta-2,6-dien-1-yl benzoate; benzoic acid geraniol ester
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.4% (164 / 165) |
| GHS notification summary | 99.4% (164 / 165) |
|---|
This chemical does not meet GHS hazard criteria for 99.4% (164 of 165) of all reports.
Reported as not meeting GHS hazard criteria by 164 of 165 companies (only 0.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
geranyl benzoate is identified by CAS 94-48-4, molecular formula C17H22O2 and molecular weight 258.16 g/mol. UNII B4M42WH83V; ChEBI 156234; InChIKey YDVXYTIIPGKIJP-NTCAYCPXSA-N. Boiling Point: 305 °C; Density: 0.980-0.990; Refractive Index: 1.514-1.521.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: geranyl benzoate