cinnamyl isobutyrate (CAS 103-59-3) — formula C13H16O2, molecular weight 204.12 g/mol; category organic chemicals.
| CAS Number | 103-59-3 |
|---|---|
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.12 g/mol |
| Boiling Point | 254 °C |
| LogP | 3.3 |
| Applications | Fragrance Ingredients |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients.
cinnamyl isobutyrate is a carbon-based organic compound with CAS registry number 103-59-3 and molecular formula C13H16O2 (molecular weight 204.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 103-59-3
Its molecular formula C13H16O2 comprises 13 C, 16 H, 2 O atoms.
Also known as: cinnamyl isobutyrate · 异丁酸肉桂酯
Category: organic chemicals
The CAS registry number of cinnamyl isobutyrate is 103-59-3.
Molecular formula C13H16O2, molecular weight 204.12 g/mol.
It is also registered under: cinnamyl isobutyrate, 异丁酸肉桂酯.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Independent reference data for cinnamyl isobutyrate (CAS 103-59-3), compiled from public chemistry databases.
| CAS Registry Number | 103-59-3 |
|---|---|
| PubChem CID | 5355851 |
| Molecular formula | C13H16O2 |
| Molecular weight | 204.12 g/mol |
| IUPAC name | [(E)-3-phenylprop-2-enyl] 2-methylpropanoate |
| InChIKey | KLKQSZIWHVEARN-RMKNXTFCSA-N |
| UNII (FDA) | C286CMK03D |
| ChEBI ID | CHEBI:195937 |
| FEMA number | 2297 |
| JECFA number | 653 |
| Molecular Weight | 204.26 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 204.115029749 |
| Monoisotopic Mass | 204.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 254 °C |
|---|---|
| Density | 1.005-1.014 |
| Refractive Index | 1.520-1.528 |
Cinnamyl isobutyrate; 103-59-3; ISOBUTYRIC ACID, CINNAMYL ESTER; 3-phenylprop-2-en-1-yl 2-methylpropanoate; FEMA No. 2297; NSC-46133; C286CMK03D; Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester; DTXCID4027608; [(E)-3-phenylprop-2-enyl] 2-methylpropanoate; Propanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester; DTXSID6047608; ((E)-3-phenylprop-2-enyl) 2-methylpropanoate; RefChem:126272; 203-126-6; Cinnamylisobutyrate
| 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% (241 / 241) |
| GHS notification summary | 100% (241 / 241) |
|---|
This chemical does not meet GHS hazard criteria for 100% (241 of 241) of all reports.
Reported as not meeting GHS hazard criteria by 241 of 241 companies. For more detailed information, please visit ECHA C&L website.
cinnamyl isobutyrate is identified by CAS 103-59-3, molecular formula C13H16O2 and molecular weight 204.12 g/mol. UNII C286CMK03D; ChEBI 195937; InChIKey KLKQSZIWHVEARN-RMKNXTFCSA-N. Boiling Point: 254 °C; Density: 1.005-1.014; Refractive Index: 1.520-1.528.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸肉桂酯