Propyl propionate（CAS 106-36-5）：分子式 C6H12O2、分子量 116.08 g/mol。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Not Known or Reasonably Ascertainable、Consumer Uses: Not Known or Reasonably Ascertainable、U.S. Production: 2023: 1、000、000 - <2、500、000 lb、2022: 1、2021: 4、000 - <5、2020: 1、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Propanoic acid、propyl ester: ACTIVE。
Propyl propionate 是一种化工化合物，登记 CAS 号为 106-36-5，分子式 C6H12O2（分子量 116.08 g/mol）。
登记 CAS 号：106-36-5
其分子式 C6H12O2 由 6 个碳、12 个氢、2 个氧 组成。
别名/同义词：Propyl propionate · n-Propyl propionate
Propyl propionate 的 CAS 登记号为 106-36-5。
分子式 C6H12O2，分子量 116.08 g/mol。
别名/同义词：Propyl propionate、n-Propyl propionate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Not Known or Reasonably Ascertainable、Consumer Uses: Not Known or Reasonably Ascertainable、U.S. Production: 2023: 1、000、000 - <2、500、000 lb、2022: 1、2021: 4、000 - <5、2020: 1、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Propanoic acid、propyl ester: ACTIVE。
Propyl propionate（CAS 106-36-5）的公开数据库记录，列此仅供独立核对。
| GHS notification summary | 0.6% (11 / 1970) |
|---|---|
| Reported hazard statements | H226, H332 |
H226: Flammable liquid and vapor [Warning Flammable liquids]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Apple, Banana, Pineapple No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.6% (11 / 1970) |
| 沸点 | 122.00 to 124.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 122-124 °C |
| 熔点 | -75.9 °C |
| 溶解度 | 5.3 mg/mL at 25 °C |
| 密度 | 0.873-0.879 |
| LogP | 1.71 |
| 折射率 | 1.391-1.396 |
| CAS Registry Number | 106-36-5 |
|---|---|
| PubChem CID | 7803 |
| 分子式 | C6H12O2 |
| 分子量 | 116.08 g/mol |
| IUPAC 名称 | propyl propanoate |
| InChIKey | MCSINKKTEDDPNK-UHFFFAOYSA-N |
| UNII（FDA） | G09TRV00GK |
| ChEBI 编号 | CHEBI:89828 |
| FEMA 编号 | 2958 |
| JECFA 编号 | 142 |
PROPYL PROPIONATE; Propyl propanoate; n-Propyl propionate; Propanoic acid, propyl ester; n-Propyl propanoate; Propionic acid, propyl ester; n-Propyl n-propionate; Propylester kyseliny propionove; FEMA No. 2958; Propyl propionate (natural); Propionic acid n-propyl ester; NSC 72022; Propyl ester of propanoic acid; DTXSID4042337; Propyl-propanoate; UNII-G09TRV00GK
| 分子量 | 116.16 |
|---|---|
| XLogP3 | 1.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 116.083729621 |
| 单同位素质量 | 116.083729621 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
Propyl propionate is identified by CAS 106-36-5, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII G09TRV00GK; ChEBI 89828; InChIKey MCSINKKTEDDPNK-UHFFFAOYSA-N. 沸点: 122.00 to 124.00 °C. @ 760.00 mm Hg; 沸点: 122-124 °C; 熔点: -75.9 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。