3-Propylidenephthalide
SIAL/75012 - mixture of isomers, analytical standard
Synonym: 3-Propylidene-1(3H)-isobenzofuranone
CAS Number: 17369-59-4
Empirical Formula (Hill Notation): C11H10O2
Molecular Weight: 174.20
EC Number: 241-402-8
MDL Number: MFCD00051813
Linear Formula: C11H10O2
Product Type: Chemical
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥97.0% (sum of isomers, GC) |
| bp | 170 °C/12 mmHg (lit.) |
| density | 1.122 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C11H10O2/c1-2-5-10-8-6 |
| InChI key | NGSZDVVHIGAMOJ-YHYXMXQVSA |
| mp | 5 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCC=C1/OC(=O)c2ccccc12 |
| storage temp. | 2-8°C |
| Analysis Note: | remarks on GC: main isomer ≥97% |
| Application: | 3-Propylidenephthalide may be used as an analytical standard for the determination of the analyte in cosmetics and personal care products, tobacco products, and biological samples by various chromatography techniques. |
| General description: | 3-Propylidenephthalide, a substituted alkyldenephthalide, is a flavoring ingredient. It is typically added as a food additive. 3-Propylidenephthalide belongs to chemical group 11, called ‘alicyclic and aromatic lactones′. |
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| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 - H317 |
| Precautionary statements | P280 - P301 + P312 + P330 - P302 + P352 |
| Hazard Codes | Xn |
| Risk Statements | 22-43 |
| Safety Statements | 24-37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | ≥97.0% (sum of isomers, GC) |
| bp | 170 °C/12 mmHg (lit.) |
| mp | 5 °C (lit.) |
| Density | 1.122 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 85151701 |