4-Heptanone
ALDRICH/W254606 - ≥97%, FG
Synonym: Butyrone; Dipropyl ketone
CAS Number: 123-19-3
Empirical Formula (Hill Notation): C7H14O
Molecular Weight: 114.19
EC Number: 204-608-9
MDL Number: MFCD00009403
Linear Formula: (CH3CH2CH2)2CO
Product Type: Chemical
| agency | follows IFRA guidelines |
| application(s) | flavors and fragrances |
| assay | ≥97% |
| biological source | synthetic |
| bp | 145 °C (lit.) |
| density | 0.817 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 | |
| InChI | 1S/C7H14O/c1-3-5-7(8)6-4- |
| InChI key | HCFAJYNVAYBARA-UHFFFAOYSA |
| mp | −33 °C (lit.) |
| organoleptic | cheese; fruity; pineapple; sweet |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FDA 21 CFR 117 | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCCC(=O)CCC |
| vapor density | 3.93 (vs air) |
| vapor pressure | 5.2 mmHg ( 20 °C) |
| Biochem/physiol Actions: | Taste at 5 ppm |
| Other Notes: | Natural occurrence: Baked potato, cabbage, coffee, papaya, roasted peanut. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 4, 8 kg in steel drum |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H332 |
| Precautionary statements | P210 - P304 + P340 + P312 |
| Hazard Codes | Xn |
| Risk Statements | 10-20 |
| Safety Statements | 24/25 |
| RIDADR | UN 2710 3 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 120.2 °F - closed cup |
| Flash Point(C) | 49 °C - closed cup |
| Purity | ≥97% |
| bp | 145 °C (lit.) |
| mp | −33 °C (lit.) |
| Density | 0.817 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2546 |
| UNSPSC | 12164502 |