3-Propylidenephthalide
ALDRICH/W295205 - mixture of cis and trans isomers, ≥96%, FG
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
| agency | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥96% |
| biological source | synthetic |
| bp | 170 °C/12 mmHg (lit.) |
| density | 1.122 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | propylidene phthalide |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| InChI | 1S/C11H10O2/c1-2-5-10-8-6 |
| InChI key | NGSZDVVHIGAMOJ-YHYXMXQVSA |
| mp | 5 °C (lit.) |
| organoleptic | spicy; herbaceous; warm |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCC=C1/OC(=O)c2ccccc12 |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 100 g in glass bottle |
| Packaging: | 5 kg in steel drum |
| 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 | ≥96% |
| bp | 170 °C/12 mmHg (lit.) |
| mp | 5 °C (lit.) |
| Density | 1.122 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2952 |
| UNSPSC | 12164502 |