Hexyl trans-2-hexenoate (CAS 33855-57-1) — formula C12H22O2, molecular weight 198.16 g/mol.
Hexyl trans-2-hexenoate is a chemical compound with CAS registry number 33855-57-1 and molecular formula C12H22O2 (molecular weight 198.16 g/mol).
CAS number: 33855-57-1
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: Hexyl trans-2-hexenoate · 2-Hexenoic acid, hexyl ester, (E)-
The CAS registry number of Hexyl trans-2-hexenoate is 33855-57-1.
Molecular formula C12H22O2, molecular weight 198.16 g/mol.
It is also registered under: Hexyl trans-2-hexenoate, 2-Hexenoic acid, hexyl ester, (E)-.
Public-database records for Hexyl trans-2-hexenoate (CAS 33855-57-1), reproduced here for independent cross-checking.
| 法规与食品接触 | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/88 |
|---|
| 沸点 | 246.00 to 247.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 121-123 °C (10 mm Hg) |
| 密度 | 0.880-0.890 |
| 折射率 | 1.439-1.445 |
| CAS 号 | 33855-57-1 |
|---|---|
| PubChem CID | 6435861 |
| 分子式 | C12H22O2 |
| 分子量 | 198.16 g/mol |
| IUPAC 名称 | hexyl (E)-hex-2-enoate |
| InChIKey | NGQTTWDHJIMWOI-CSKARUKUSA-N |
| UNII（FDA） | 8H4V153HBP |
| ChEBI 编号 | CHEBI:171821 |
| FEMA 编号 | 3692 |
| JECFA 编号 | 1810 |
Hexyl trans-2-hexenoate; 8H4V153HBP; 2-Hexenoic acid, hexyl ester, (E)-; HEXYL-2-HEXENOATE,(E)-; DTXSID301019766; HEXYL 2-HEXENOATE, (2E)-; HEXYL TRANS-2-HEXENOATE [FHFI]; 2-Hexenoic acid hexyl ester; (E)-2-Hexenoic acid hexyl ester; RefChem:788272; Hexyl (2E)-2-hexenoate; DTXCID80909865; Hexyl (E)-2-hexenoate; Hexyl 2E-hexenoate; hexyl (2E)-hex-2-enoate; 33855-57-1
| 分子量 | 198.30 |
|---|---|
| XLogP3 | 4.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 9 |
| 精确质量 | 198.161979940 |
| 单同位素质量 | 198.161979940 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
反式2-己烯酸己酯 的 CAS 号为 33855-57-1，分子式 C12H22O2，分子量 198.16 g/mol。 UNII 8H4V153HBP; ChEBI 171821; InChIKey NGQTTWDHJIMWOI-CSKARUKUSA-N. 沸点: 246.00 to 247.00 °C. @ 760.00 mm Hg; 沸点: 121-123 °C (10 mm Hg); 密度: 0.880-0.890.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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