| Identification | More | [Name]
3-Hexanone | [CAS]
589-38-8 | [Synonyms]
3-HEXANONE
ETHYL N-PROPYL KETONE
ETHYL PROPYL KETONE
FEMA 3290
3-Hexanon
3-oxohexane
Aethylpropylketon
Hexan-3-one
Hexanone-(3)
n-C3H7COC2H5
3-HEXANONE 97+%
3-HEXANONE OEKANAL
3-Hexanone,98%
hexanone,3-hexanone
METHYLPROPYLKETONE(SG)
3-HEXANONE 96+%
3-HEXANONE, NATURAL
Hexanone, 3-: (Ethyl propyl ketone) | [EINECS(EC#)]
209-645-4 | [Molecular Formula]
C6H12O | [MDL Number]
MFCD00009402 | [Molecular Weight]
100.16 | [MOL File]
589-38-8.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
-55°C | [Boiling point ]
123 °C (lit.) | [density ]
0.815 g/mL at 25 °C(lit.)
| [FEMA ]
3290 | [refractive index ]
n20/D 1.400(lit.)
| [Fp ]
95 °F
| [storage temp. ]
Flammables area | [solubility ]
14.7g/l | [form ]
Liquid | [color ]
Clear colorless to slightly yellow | [Odor]
at 10.00 % in dipropylene glycol. sweet fruity waxy rum grape | [Stability:]
Stable, but may form peroxides on prolonged storage. Flammable. Incompatible with oxidizing agents, reducing agents, strong bases. | [biological source]
synthetic | [explosive limit]
1-8%(V) | [Odor Type]
fruity | [Water Solubility ]
Soluble in water. (14 g/L) | [Specific Heat Capacity]
Cp(liquid):216.9J/(g·K),at 25℃ | [JECFA Number]
281 | [BRN ]
1738025 | [Henry's Law Constant]
7.9×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 | [InChIKey]
PFCHFHIRKBAQGU-UHFFFAOYSA-N | [SMILES]
CCCC(=O)CC | [LogP]
1.44 | [Uses]
Solvent. | [CAS DataBase Reference]
589-38-8(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Hexanone(589-38-8) | [EPA Substance Registry System]
589-38-8(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Danger | [Hazard statements ]
H225 | [Precautionary statements ]
P210 | [Hazard Codes ]
Xi,F | [Risk Statements ]
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R10:Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S16:Keep away from sources of ignition-No smoking .
S9:Keep container in a well-ventilated place .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
MP1575000
| [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29141900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 2 |
| Hazard Information | Back Directory | [Hazard]
Toxic by ingestion and inhalation, strong
irritant. Flammable, moderate fire risk. | [Description]
May be synthesized from organo-mercury compounds; by dehydrogenation of 3-hexanol in the presence of Ni-zinc oxide-phosphate catalyst; by hydrogenolysis of 2-ethylfuran; by passing
(5-furylpropionic acid (or 2-furanpropionic acid) over 5% Pt-C
catalyst to 250 to 300°C; by two patented processes. | [Chemical Properties]
3-Hexanone has an ethereal, grape, wine-like odor
| [Chemical Properties]
colourless liquid | [Occurrence]
Reported found in coffee and, as a component in the volatile by-product developed during the catalytic hydrogenation of soybean oil using Ni catalysts; in the scent of green vegetable Nezara viridula. Also reported found in lime peel oil, black
currants, peach, pineapple, fried potato, Parmesan cheese, butter, milk, eggs, beef, fried pork, beer, rum, cocoa, coffee, filberts, passion fruit, plumcot, rose apple, mango, lemon balm, crab, Cape gooseberry and sweet grass oil. | [Definition]
ChEBI: 3-hexanone is a dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group. It has a role as a human urinary metabolite, a human xenobiotic metabolite, an insect attractant, a plant metabolite and a bacterial xenobiotic metabolite. It derives from a hydride of a hexane. | [Preparation]
From organo-mercury compounds; by dehydrogenation of 3-hexanol in the presence of Ni-zinc oxide-phosphate catalyst;
by hydrogenolysis of 2-ethylfuran; by passing β-furylpropionic acid (or 2-furanpropionic acid) over 5% Pt-C catalyst from 250 to
300°C; by two patented processes | [Aroma threshold values]
Detection: 41 to 81 ppb | [Taste threshold values]
Taste characteristics at 30 ppm: sweet, fruity and waxy with rum notes | [Synthesis Reference(s)]
Journal of the American Chemical Society, 96, p. 4721, 1974 DOI: 10.1021/ja00821a085
The Journal of Organic Chemistry, 45, p. 2269, 1980
Tetrahedron Letters, 11, p. 27, 1970 | [General Description]
3-Hexanone, a volatile dialkyl ketone, is a well-known flavor and aroma ingredient present in food and beverage products. |
|
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Spectrum Chemical Manufacturing Corp.
|
| Telephone: |
021-021-021-67601398-809-809-809 15221380277 |
| Website: |
www.spectrumchemical.com/oa_html/index.jsp?minisite=10020&respid=22372&language=us |
|