3-Phenyl-1-propyl acetate (CAS 122-72-5) — formula C11H14O2, molecular weight 178.23; category organic chemicals.
| CAS Number | 122-72-5 |
|---|---|
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 |
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| LogP | 2.5 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, 1-acetate: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, 1-acetate: ACTIVE.
3-Phenyl-1-propyl acetate is a carbon-based organic compound with CAS registry number 122-72-5 and molecular formula C11H14O2 (molecular weight 178.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 122-72-5
Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.
Also known as: 3-Phenyl-1-propyl acetate · 3-phenylpropyl acetate
Category: organic chemicals
The CAS registry number of 3-Phenyl-1-propyl acetate is 122-72-5.
Molecular formula C11H14O2, molecular weight 178.23.
It is also registered under: 3-Phenyl-1-propyl acetate, 3-phenylpropyl acetate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzenepropanol, 1-acetate: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-Phenyl-1-propyl acetate (CAS 122-72-5), compiled from public chemistry databases.
| CAS Registry Number | 122-72-5 |
|---|---|
| PubChem CID | 31226 |
| Molecular formula | C11H14O2 |
| IUPAC name | 3-phenylpropyl acetate |
| UNII (FDA) | AKW166708I |
| FEMA number | 2890 |
| JECFA number | 638 |
| Molecular Weight | 178.23 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 178.099379685 |
| Monoisotopic Mass | 178.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 244-245 °C |
| Density | 1.011-1.020 |
| Refractive Index | 1.494-1.498 |
3-Phenylpropyl acetate; 122-72-5; Hydrocinnamyl acetate; Benzenepropanol, acetate; Benzenepropanol, 1-acetate; 1-PROPANOL, 3-PHENYL-, ACETATE; FEMA No. 2890; DTXSID2047648; AKW166708I; NSC-404453; DTXCID0027648; CHEBI:81257; RefChem:95343; 204-569-8; 3-Phenyl-1-propyl acetate; Phenylpropyl acetate
| 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 | 98.8% (318 / 322) |
| GHS notification summary | 98.8% (318 / 322) |
|---|
This chemical does not meet GHS hazard criteria for 98.8% (318 of 322) of all reports.
Reported as not meeting GHS hazard criteria by 318 of 322 companies (only 1.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
3-Phenyl-1-propyl acetate · CAS 122-72-5 · C11H14O2. UNII AKW166708I. Boiling Point: 244.00 to 245.00 °C. @ 760.00 mm Hg; Boiling Point: 244-245 °C; Density: 1.011-1.020.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.