A2331312
Caproaldehyde , standardforGC,≥99.0%(GC) , 66-25-1
Synonym(s):
Aldehyde C6;Caproaldehyde;Hexaldehyde, Caproaldehyde, Hexylaldehyde;Hexanal (stabilised);Hexyl aldehyde
CAS NO.：66-25-1
Empirical Formula: C6H12O
Molecular Weight: 100.16
MDL number: MFCD00007027
EINECS: 200-624-5
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -56 °C |
| Boiling point: | 130-131 °C(lit.) |
| Density | 0.816 g/mL at 20 °C |
| vapor density | >1 (vs air) |
| vapor pressure | 10 mm Hg ( 20 °C) |
| refractive index | n |
| FEMA | 2557 | HEXANAL |
| Flash point: | 90 °F |
| storage temp. | 2-8°C |
| solubility | 6g/l |
| form | Liquid |
| color | Clear colorless to slightly yellow |
| PH | 4-5 (4.8g/l, H2O, 20℃) |
| Odor | Pungent. |
| Odor Threshold | 0.00028ppm |
| Odor Type | green |
| biological source | synthetic |
| Water Solubility | 4.8 g/L (20 ºC) |
| Sensitive | Air Sensitive |
| Merck | 14,1760 |
| JECFA Number | 92 |
| BRN | 506198 |
| Stability: | Stable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents. |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | FRAGRANCE |
| InChI | 1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
| InChIKey | JARKCYVAAOWBJS-UHFFFAOYSA-N |
| SMILES | CCCCCC=O |
| LogP | 1.97 |
| CAS DataBase Reference | 66-25-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Hexanal(66-25-1) |
| EPA Substance Registry System | Hexaldehyde (66-25-1) |
Description and Uses
Hexanal has a fatty, green, grassy, powerful, penetrating characteristic fruity odor and taste (on dilution). It is prepared from the calcium salt of caproic acid and formic acid.
Hexanal is used in the flavor industry to prepare fruity flavors. It is utilized as a flavoring agent in the food industry. It is also used in Witting and aldol reactions.
Safety
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226-H315-H319 |
| Precautionary statements | P210-P233-P240-P241-P303+P361+P353-P305+P351+P338 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Statements | 10-36-36/37/38 |
| Safety Statements | 37/39-26-16-9 |
| RIDADR | UN 1207 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MN7175000 |
| F | 13 |
| Autoignition Temperature | 220 °C |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 2912 19 00 |
| HazardClass | 3 |
| PackingGroup | III |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 |
| Hazardous Substances Data | 66-25-1(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 4.89 g/kg (Smyth) |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
