4-Heptanone

{{Chembox

| Watchedfields = changed

| verifiedrevid = 443353152

| ImageFile = 4-heptanone.svg

| PIN = Heptan-4-one

| OtherNames = Dipropyl ketone, Butyrone, DPK, Propyl ketone

|Section1={{Chembox Identifiers

| CASNo = 123-19-3

| CASNo_Ref = {{cascite|correct|CAS}}

| PubChem = 31246

| ChEBI = 89484

| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}

| ChemSpiderID = 28986

| UNII_Ref = {{fdacite|correct|FDA}}

| UNII = 9BN582JQ61

| EC_number = 204-608-9

| RTECS = MJ5600000

| UNNumber = 2710

| SMILES = O=C(CCC)CCC

| StdInChI_Ref = {{stdinchicite|correct|chemspider}}

| StdInChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3

| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}

| StdInChIKey = HCFAJYNVAYBARA-UHFFFAOYSA-N

}}

|Section2={{Chembox Properties

| C=7 | H=14 | O=1

| Appearance = Colorless liquid

| Odor =

| Density = 0.82 g/mL

| MeltingPtC = -32.8

| BoilingPtC = 143.9

| Solubility =

| VaporPressure = 5 mmHg (20 °C)

| MagSus = −80.45·10−6 cm3/mol

}}

|Section3={{Chembox Hazards

| MainHazards = Combustible

| FlashPtC = 48.9

| AutoignitionPtC =

| PEL = none{{PGCH|0242}}

| IDLH = N.D.

| REL = TWA 50 ppm (235 mg/m3)

| GHSPictograms = {{GHS02}}{{GHS07}}

| GHSSignalWord = Warning

| HPhrases = {{H-phrases|226|332}}

| PPhrases = {{P-phrases|210|233|240|241|242|243|261|271|280|303+361+353|304+312|304+340|312|370+378|403+235|501}}

| NFPA-H=1

| NFPA-F=2

| NFPA-R=0

}}

}}

4-Heptanone or heptan-4-one is an organic compound with the formula (CH3CH2CH2)2CO. It is a colorless liquid.

Synthesis

The compound is synthesized by ketonization, involving the pyrolysis of iron(II) butyrate.

{{cite journal |first1=Robert|last1=Davis|first2=Charles|last2=Granito|first3=Harry P.|last3= Schultz|doi=10.15227/orgsyn.047.0075|title=4-Heptanone|journal=Organic Syntheses|year=1967|volume=47|page=75}}

Butyrone is used in the synthesis of 3-propylthio-4-heptanol,William J. Evers, et al. {{US patent|4097615}} (1978 to International Flavors and Fragrances Inc). which has found use as a flavor augmenting or enhancing composition in foodstuffs.

References

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Category:Heptanones

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