Propionic acid trans-2-hexen-1-yl ester (CAS 53398-80-4) — formula C9H16O2, molecular weight 156.22; category organic chemicals.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Hexen-1-ol, 1-propanoate, (2E)-: ACTIVE.
Propionic acid trans-2-hexen-1-yl ester is a carbon-based organic compound with CAS registry number 53398-80-4 and molecular formula C9H16O2 (molecular weight 156.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53398-80-4
Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms.
Also known as: Propionic acid trans-2-hexen-1-yl ester · 丙酸反式-2-己烯-1-基酯
Category: organic chemicals
The CAS registry number of Propionic acid trans-2-hexen-1-yl ester is 53398-80-4.
Molecular formula C9H16O2, molecular weight 156.22.
It is also registered under: Propionic acid trans-2-hexen-1-yl ester, 丙酸反式-2-己烯-1-基酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Hexen-1-ol, 1-propanoate, (2E)-: ACTIVE.
Category: Organic Chemicals.
Public-database records for Propionic acid trans-2-hexen-1-yl ester (CAS 53398-80-4), reproduced here for independent cross-checking.
| GHS notification summary | 100% (138 / 138) |
|---|
This chemical does not meet GHS hazard criteria for 100% (138 of 138) of all reports.
Reported as not meeting GHS hazard criteria by 138 of 138 companies. For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: 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% (138 / 138) |
| 沸点 | 91.00 °C. @ 20.00 mm Hg |
|---|---|
| 沸点 | 91 °C (20 mm Hg) |
| 密度 | 0.885-0.895 |
| 折射率 | 1.426-1.433 |
| CAS Registry Number | 53398-80-4 |
|---|---|
| PubChem CID | 5352463 |
| 分子式 | C9H16O2 |
| IUPAC 名称 | [(E)-hex-2-enyl] propanoate |
| UNII（FDA） | F3851R4663 |
| FEMA 编号 | 3778 |
| JECFA 编号 | 1378 |
53398-80-4; trans-2-Hexenyl propionate; 2-Hexenyl propanoate; (E)-2-Hexenyl propionate; (E)-2-Hexenyl propanoate; 2-HEXEN-1-OL, PROPANOATE, (E)-; (E)-Hex-2-enyl propionate; 2-Hexen-1-ol, propanoate, (2E)-; 2-Hexenyl propionate, (2E)-; EINECS 258-513-2; 2-Hexen-1-ol, 1-propanoate, (2E)-; AI3-35969; F3851R4663; FEMA NO. 3932; DTXSID30886051; 2-HEXENYL PROPIONATE, TRANS-
| 分子量 | 156.22 |
|---|---|
| XLogP3 | 2.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 156.115029749 |
| 单同位素质量 | 156.115029749 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
Propionic acid trans-2-hexen-1-yl ester · CAS 53398-80-4 · C9H16O2. UNII F3851R4663. 沸点: 91.00 °C. @ 20.00 mm Hg; 沸点: 91 °C (20 mm Hg); 密度: 0.885-0.895.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.