Allyl hexanoate
ALDRICH/W203211 - natural, ≥98%, FCC, FG
Synonym: Allyl caproate
CAS Number: 123-68-2
Empirical Formula (Hill Notation): C9H16O2
Molecular Weight: 156.22
EC Number: 204-642-4
MDL Number: MFCD00038339
Linear Formula: CH3(CH2)4CO2CH2CH=CH2
Product Type: Chemical
12 Principles of Green Chemistry: Principle 7—A raw material or feedstock should be renewable rather than depleting whenever technically and economically practicable.
12 Principles of Green Chemistry: Principle 3—Less Hazardous Chemical Syntheses. This product manufacturing process was designed with lesser toxicity to human health and the environment.
| agency | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| bp | 75-76 °C/15 mmHg (lit.) |
| density | 0.887 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| natural | |
| greener alternative category | Aligned  , |
| greener alternative product characteristics | Less Hazardous Chemical Syntheses Use of Renewable Feedstocks Learn more about the Principles of Green Chemistry . |
| InChI | 1S/C9H16O2/c1-3-5-6-7-9(1 |
| InChI key | RCSBILYQLVXLJG-UHFFFAOYSA |
| organoleptic | fruity; ethereal; pineapple; sweet |
| Quality Level | 300 |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FCC | |
| FDA 21 CFR 117 | |
| SMILES string | CCCCCC(=O)OCC=C |
| sustainability | Greener Alternative Product |
| General description: | Allyl hexanoate is a volatile flavoring compound with a pineapple flavor. It is naturally found in baked potatoes and mushrooms. Allyl hexanoate is used as a flavoring agent in chewing gum, candies and baked goods. |
| General description: | We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 25, 100 g in poly bottle |
| Packaging: | 4 kg in poly drum |
| Symbol |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H301 + H311 - H411 |
| Precautionary statements | P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 |
| Hazard Codes | T,N |
| Risk Statements | 22-24-51/53 |
| Safety Statements | 36/37-45-61 |
| RIDADR | UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s |
| WGK Germany | WGK 2 |
| Flash Point(F) | 150.8 °F - closed cup |
| Flash Point(C) | 66 °C - closed cup |
| Purity | ≥98% |
| bp | 75-76 °C/15 mmHg (lit.) |
| Density | 0.887 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2032 |
| UNSPSC | 12164502 |