Propyl propionate (CAS 106-36-5) — formula C6H12O2, molecular weight 116.08 g/mol.
Documented applications: 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 is a chemical compound with CAS registry number 106-36-5 and molecular formula C6H12O2 (molecular weight 116.08 g/mol).
CAS number: 106-36-5
Its molecular formula C6H12O2 comprises 6 C, 12 H, 2 O atoms.
Also known as: Propyl propionate · n-Propyl propionate
The CAS registry number of Propyl propionate is 106-36-5.
Molecular formula C6H12O2, molecular weight 116.08 g/mol.
It is also registered under: Propyl propionate, n-Propyl propionate.
Recorded applications: 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.
Public-database records for Propyl propionate (CAS 106-36-5), reproduced here for independent cross-checking.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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