Product Name

  • Name

    2-Heptanone

  • EINECS 203-767-1
  • CAS No. 110-43-0
  • Article Data472
  • CAS DataBase
  • Density 0.808 g/cm3
  • Solubility 4.3 g/L (20 °C) in water
  • Melting Point -35 °C
  • Formula C7H14O
  • Boiling Point 151.2 °C at 760 mmHg
  • Molecular Weight 114.188
  • Flash Point 47.2 °C
  • Transport Information UN 2810 6.1/PG 3
  • Appearance colorless liquid
  • Safety 36-24/25
  • Risk Codes 22-38-40-48-20/22-10
  • Molecular Structure Molecular Structure of 110-43-0 (2-Heptanone)
  • Hazard Symbols HarmfulXn
  • Synonyms 1-Methylhexanal;2-Oxoheptane;Amyl methyl ketone;Butylacetone;Methyl amyl ketone;Methyln-amyl ketone;Methyl n-pentyl ketone;Methyl pentyl ketone;NSC 7313;Pentylmethyl ketone;n-Amyl methyl ketone;n-Pentyl methyl ketone;
  • PSA 17.07000
  • LogP 2.15570

Synthetic route

2-Heptanol
52390-72-4, 543-49-7

2-Heptanol

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With tert.-butylhydroperoxide; [O-Cu4(triethanolamine)4(BOH)4][BF4]2 In acetonitrile at 69.84℃; for 7h;100%
With dihydrogen peroxide; bromine In dichloromethane; water at 20℃; for 2h;99%
With pyridine In dichloromethane at 20℃; for 5h;96%
C7H14OS
133619-36-0

C7H14OS

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
Ambient temperature;100%
Ambient temperature; Yield given;
2-Methyl-2-pentyl-1,3-dithiolane
81979-61-5

2-Methyl-2-pentyl-1,3-dithiolane

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With t-butyl bromide; dimethyl sulfoxide at 70 - 75℃; for 4h;100%
With trimethylsilyl bromide; dimethyl sulfoxide In tetrachloromethane at 75 - 80℃; for 24h;95%
With thionyl chloride; dihydrogen peroxide In acetonitrile at 25℃; for 0.0333333h;92%
1-Heptene
592-76-7

1-Heptene

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With Pd(II)(15-crown-5-phen)Cl2; dinitrogen monoxide In N,N-dimethyl acetamide; water at 150℃; under 2250.23 Torr; for 18h;99%
With 2(p-CH2-C6H4CN)2[(CH2)3SO3Na]2-calix[4]arene*PdCl2; oxygen; copper dichloride under 3750.3 Torr; for 2h; Wacker oxidation;89%
With dihydrogen peroxide In water; acetonitrile at 55℃; for 12h; Wacker Oxidation;77%
2-Heptanone 1,2-ethanediyl acetal
4352-95-8

2-Heptanone 1,2-ethanediyl acetal

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With silica gel; iron(III) chloride at 20℃; for 0.0833333h;98%
With pyridinium chlorochromate at 45℃; for 2.5h;91%
With thiourea In ethanol; water for 6h; Heating;89%
With γ-picolinium chlorochromate In dichloromethane at 20℃; for 12h;75%
2-heptylamine
123-82-0

2-heptylamine

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction;97%
With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0h;96%
With potassium permanganate; iron(II) sulfate In dichloromethane for 5h; Heating;86%
With potassium permanganate; copper(II) sulfate In dichloromethane for 24h; Heating;68 % Chromat.
1-Heptyne
628-71-7

1-Heptyne

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With disodium chloro[1,3-bis(2,6-diisopropyl-4-sodiumsulfonatophenyl)imidazol-2-ylidene]gold(I); water at 100℃; for 1.17h;96%
With C22H20AuN3O2P(1+)*CF3O3S(1-); water; silver trifluoromethanesulfonate; acetic acid at 100℃; for 10h;92%
With water; trans-Bu4N[Au(2,4,6-C6F5)2Cl2] In methanol for 1.5h; Product distribution; Further Variations:; Catalysts; Heating;90%
trans 3-hepten-2-one
5609-09-6

trans 3-hepten-2-one

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With [(COD)Ir(dimethylphenylphosphine)(1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene)](tetrakis(3,5-bis(trifluoromethyl)phenyl)borate); hydrogen In dichloromethane at -78 - 25℃; under 760.051 Torr; for 2h; chemoselective reaction;95%
With 1% Pd/C; hydrogen
2,2'-dimethoxyheptane
78465-91-5

2,2'-dimethoxyheptane

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With water; Nafion-H In acetone for 0.5h;94%
With Bi(1+)*NO3(1-)=BiNO3 In dichloromethane at 20℃; for 2h;78%
Methyl-pentyl-ketoxim
5314-31-8

Methyl-pentyl-ketoxim

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With vanadium(III) chloride In tetrahydrofuran for 8h; Ambient temperature;92%
With phosphotungstic acid; bismuth (III) nitrate pentahydrate at 40 - 45℃; for 0.333333h;86%
With tert.-butylhydroperoxide In tetrachloromethane for 18h; Heating;80%
2-Methyl-2-pentyl-[1,3]oxathiolane

2-Methyl-2-pentyl-[1,3]oxathiolane

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With trimethylsilyl trifluoromethanesulfonate; nitrobenzaldehyde polymer In dichloromethane for 3h; Ambient temperature;89%
With 4-nitrobenzaldehdye; trimethylsilyl trifluoromethanesulfonate In dichloromethane for 0.0833333h; Ambient temperature;88%
3-aminoheptan-2-one
40513-33-5

3-aminoheptan-2-one

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With potassium bisulfite; 2-nitro-phenyl hypochlorite at 65℃; for 9h; Temperature;89%
heptan-2-one semicarbazone
3622-66-0

heptan-2-one semicarbazone

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With 1,4-dichloro-1,4-diazoniabicyclo[2,2,2]octane bischloride In water at 50℃; for 0.25h; pH=7;87%
With dihydrogen peroxide; vanadyl acetylacetonate In acetone at 20℃; for 8h;82%
ethyl 2-butylacetoacetate
1540-29-0

ethyl 2-butylacetoacetate

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With potassium hydroxide; 18-crown-6 ether In ethanol; benzene 1.) room temperature, 16 h, 2.) reflux, 2 h;86%
at 525℃;
Darstellung;
3-butylpentane-2,4-dione
1540-36-9

3-butylpentane-2,4-dione

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With methanol; sodium chloride electrolysis;85%
N,N-Dimethyl-N'-[1-methyl-hex-(E)-ylidene]-hydrazine

N,N-Dimethyl-N'-[1-methyl-hex-(E)-ylidene]-hydrazine

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With cerium(III) chloride; silica gel for 0.0666667h; Microwave irradiation;85%
lithium salt of 2-heptanol
103322-75-4

lithium salt of 2-heptanol

A

1,1-Diphenylmethanol
91-01-0

1,1-Diphenylmethanol

B

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

C

2-Heptanol
52390-72-4, 543-49-7

2-Heptanol

Conditions
ConditionsYield
With benzophenone In tetrahydrofuran at 24℃; for 96h;A 78%
B 15%
C 84%
...Expand
lithium salt of 2-heptanol
103322-75-4

lithium salt of 2-heptanol

A

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

B

2-Heptanol
52390-72-4, 543-49-7

2-Heptanol

Conditions
ConditionsYield
With benzophenone In tetrahydrofuran at 24℃; Mechanism;A 15%
B 84%
trans-3-hepten-2-ol
67077-39-8

trans-3-hepten-2-ol

4-chlorophenyl acetate
876-27-7

4-chlorophenyl acetate

A

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

B

trans 3-hepten-2-one
5609-09-6

trans 3-hepten-2-one

C

Acetic acid (E)-(R)-1-methyl-hex-2-enyl ester

Acetic acid (E)-(R)-1-methyl-hex-2-enyl ester

Conditions
ConditionsYield
With RuCl3H(p-cymene)2; immobilized lipase from Pseudomonas cepacia; triethylamine In dichloromethane at 20 - 25℃; for 48h; Acetylation; oxidation; reduction; Enzymatic reaction;A n/a
B n/a
C 83%
...Expand
silver(I) β-n-butylacetoacetate

silver(I) β-n-butylacetoacetate

A

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

B

silver
7440-22-4

silver

Conditions
ConditionsYield
Heating;A 83%
B n/a
2-heptanone oxime

2-heptanone oxime

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With bis(acetylacetonato)dioxidomolybdenum(VI); dihydrogen peroxide In acetone at 20℃; for 10h;82%
1-Trimethylsilanyl-heptan-2-one
79754-10-2

1-Trimethylsilanyl-heptan-2-one

A

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

B

1-chloro-2-heptanone
41055-92-9

1-chloro-2-heptanone

Conditions
ConditionsYield
With sulfuryl dichloride; triethylamine In dichloromethane 1.) 0 deg C, 2.) room temperature; Yields of byproduct given;A n/a
B 76%
1,1-dibromohept-1-ene
32363-96-5

1,1-dibromohept-1-ene

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With water; zinc at 275℃; for 4h;76%
C9H18B(1-)*Li(1+)
121826-88-8

C9H18B(1-)*Li(1+)

A

2-Methyl-2-heptanol
625-25-2

2-Methyl-2-heptanol

B

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

C

hex-1-yne
693-02-7

hex-1-yne

Conditions
ConditionsYield
With sodium hydroxide; methanesulfonic acid; dihydrogen peroxide 1.) Et2O, -78 deg C, warming to 25 deg C, 2h; Yield given. Multistep reaction;A 8%
B n/a
C 73%
With sodium hydroxide; methanesulfonic acid; dihydrogen peroxide 1.) Et2O, -78 deg C warming to 25 deg C, 2h; Yield given. Multistep reaction;A 8%
B 9%
C n/a
...Expand
methyl 2-octynoate
111-12-6

methyl 2-octynoate

A

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

B

methyl 3-oxooctanoate
22348-95-4

methyl 3-oxooctanoate

Conditions
ConditionsYield
With formic acid; dodecacarbonyl-triangulo-triruthenium for 2.5h; Heating;A 14%
B 72%
3-hepten-2-one
5609-09-6, 69668-88-8, 1119-44-4

3-hepten-2-one

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With aluminum tri-bromide; cyclohexane In various solvent(s) at 20℃; for 40h;70%
With ethanol; nickel pumice stone under 4560 Torr; Hydrogenation;
With NADPH-dependent curcumin/dihydrocurcumin reductase from Escherichia coli DH10B; NADPH Enzymatic reaction;
sodium caprylate
1984-06-1

sodium caprylate

A

octanol
111-87-5

octanol

B

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With CZYE medium (Biolife) In water for 24h; Colletotrichum gloeosporoides CBS 193.32;A 70%
B n/a
2-heptyl-hypochlorite
82004-65-7

2-heptyl-hypochlorite

A

2-ethyl-5-methyl-tetrahydro-furan
931-39-5

2-ethyl-5-methyl-tetrahydro-furan

B

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

C

2-Heptanol
52390-72-4, 543-49-7

2-Heptanol

D

5-Chloro-heptan-2-ol
82004-68-0

5-Chloro-heptan-2-ol

Conditions
ConditionsYield
With sodium hydrogencarbonate; iron(II) sulfate In tetrachloromethane Ambient temperature; protected from the light;A 7%
B 5%
C n/a
D 68%
...Expand
C14H21NO2
1108147-56-3

C14H21NO2

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 70℃;68%
(Z)-hept-2-ene
6443-92-1

(Z)-hept-2-ene

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Conditions
ConditionsYield
With water; palladium dichloride at 25℃; under 1300 Torr; for 22h; in microemulsion system, closed reactor;66%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

2-Heptanol
52390-72-4, 543-49-7

2-Heptanol

Conditions
ConditionsYield
With sodium aluminum tetrahydride In tetrahydrofuran at 0℃; for 0.0833333h;100%
Stage #1: n-pentyl methyl ketone With sodium tetrahydroborate at 25℃; for 0.5h; Ball milling; neat (no solvent);
Stage #2: With water regiospecific reaction;		100%
Stage #1: n-pentyl methyl ketone With C35H55Cl2NRuS; isopropyl alcohol at 82℃; for 0.166667h;
Stage #2: With potassium hydroxide at 82℃; for 1h; Reagent/catalyst;		100%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

(E)-1-(4-chlorophenyl)oct-1-en-3-one
100765-38-6

(E)-1-(4-chlorophenyl)oct-1-en-3-one

Conditions
ConditionsYield
Stage #1: n-pentyl methyl ketone With piperidine In ethanol at 20℃; for 2h;
Stage #2: 4-chlorobenzaldehyde In ethanol for 72h; Reflux;		100%
barium dihydroxide In ethanol for 1h; Heating;93%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

2-Amino-2-methyl-1-propanol
124-68-5

2-Amino-2-methyl-1-propanol

2,4,4-trimethyl-2-pentyloxazolidine
51805-99-3

2,4,4-trimethyl-2-pentyloxazolidine

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene Heating;100%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

aniline
62-53-3

aniline

C13H21N
155690-72-5

C13H21N

Conditions
ConditionsYield
With (R)-3,3'-bis(2,4,6-triisopropylphenyl)binol phosphoric acid; 2-(3,5-dimethylphenyl)indoline In 1,3,5-trimethyl-benzene at 20 - 80℃; for 72h; Molecular sieve; Inert atmosphere; enantioselective reaction;100%
With 2-Phenylbenzothiazolin; C51H59O4P In benzene at 20℃; for 48h; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;77%
octanol
111-87-5

octanol

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

1-(1-methyl-hexyloxy)-octane
51182-94-6

1-(1-methyl-hexyloxy)-octane

Conditions
ConditionsYield
With 2.5% wt Pd/C; hydrogen at 160℃; for 3h; Catalytic behavior; Dean-Stark; chemoselective reaction;100%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

trimethylsilyl cyanide
7677-24-9

trimethylsilyl cyanide

2-methyl-2-(trimethylsiloxy)heptanenitrile
111874-59-0

2-methyl-2-(trimethylsiloxy)heptanenitrile

Conditions
ConditionsYield
With potassium carbonate at 20℃; for 6h;99%
With N,N-dimethyl-(2-hydroxybenzyl)amine N-oxide In diethyl ether at 23℃; for 0.5h;99%
With 1-methoxy-2-methyl-1-(trimethylsiloxy)propene at 25℃; for 50h;99%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

ethane-1,2-dithiol
540-63-6

ethane-1,2-dithiol

2-Methyl-2-pentyl-1,3-dithiolane
81979-61-5

2-Methyl-2-pentyl-1,3-dithiolane

Conditions
ConditionsYield
With silica gel; zirconium(IV) chloride In dichloromethane Ambient temperature; < 5 min;99%
With cobalt(II) bromide In dichloromethane for 0.5h; Ambient temperature;98%
With P-benzyltriphenylphosphonium tribromide at 20℃; for 1.5h;96%
With P-benzyltriphenylphosphonium tribromide In dichloromethane at 20℃; for 7h;90%
With phosphorus pentoxide; silica gel for 0.0666667h;86%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

2-hydroxyresorcinol
87-66-1

2-hydroxyresorcinol

2-Methyl-2-pentyl-4-hydroxy-1,3-benzodioxole

2-Methyl-2-pentyl-4-hydroxy-1,3-benzodioxole

Conditions
ConditionsYield
With Montmorillonite KSF In benzene for 12h; Heating;99%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

Allyl acetate
591-87-7

Allyl acetate

4-methylnon-1-en-4-ol
40674-50-8

4-methylnon-1-en-4-ol

Conditions
ConditionsYield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; 1,2-bis(dimethylphosphanyl)ethane; bis(pinacol)diborane In toluene at 50℃; for 18h;99%
With trifluoroacetic acid; cobalt(II) bromide; zinc In acetonitrile at 20℃; for 5h;65%
With manganese; trifluoroacetic acid; zinc dibromide; FeBr2(bpy) In N,N-dimethyl-formamide at 80℃; for 5h;61%
With [2,2]bipyridinyl; tetrabutylammonium tetrafluoroborate; iron(II) bromide In N,N-dimethyl-formamide at 20℃; Electrochemical reaction;60%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

naphthalene-2-sulfonate
120-18-3

naphthalene-2-sulfonate

4-amino-o-xylene
95-64-7

4-amino-o-xylene

N-2-heptyl-3,4-xylidine
78455-20-6

N-2-heptyl-3,4-xylidine

Conditions
ConditionsYield
With hydrogen; platinum99%
...Expand
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

(3,4-dimethoxyphenyl)methanol
93-03-8

(3,4-dimethoxyphenyl)methanol

1-(3,4-dimethoxyphenyl)octan-3-one
39728-59-1

1-(3,4-dimethoxyphenyl)octan-3-one

Conditions
ConditionsYield
With potassium phosphate; 5%-palladium/activated carbon In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 24h; Temperature; Inert atmosphere;99%
With potassium phosphate In toluene at 110℃; for 24h; Inert atmosphere;90%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

ethanethiol
75-08-1

ethanethiol

2,2-bis-ethylsulfanyl-heptane
86739-50-6

2,2-bis-ethylsulfanyl-heptane

Conditions
ConditionsYield
titanium tetrachloride In chloroform at -10 - 30℃; for 6h;98%
With sodium sulfate; zinc(II) chloride
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

methyltrichlorotitanium
2747-38-8

methyltrichlorotitanium

2-Methyl-2-heptanol
625-25-2

2-Methyl-2-heptanol

Conditions
ConditionsYield
In diethyl ether at -30 - 0℃; for 2h;98%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

hydrogen cyanide
74-90-8

hydrogen cyanide

carbon dioxide
124-38-9

carbon dioxide

5-methyl-5-n-amylhydantoin
65826-54-2

5-methyl-5-n-amylhydantoin

Conditions
ConditionsYield
Stage #1: n-pentyl methyl ketone With gallium(III) triflate; ammonia In dichloromethane at -78℃; for 3h; Inert atmosphere;
Stage #2: hydrogen cyanide In dichloromethane at -78 - 25℃; Inert atmosphere;
Stage #3: carbon dioxide With N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 7h; Inert atmosphere;		98%
...Expand
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

C13H27BO2Si

C13H27BO2Si

4-methyl-2-((trimethylsilyl)methyl)non-1-en-4-ol

4-methyl-2-((trimethylsilyl)methyl)non-1-en-4-ol

Conditions
ConditionsYield
In toluene at 20℃;98%
pyrrolidine
123-75-1

pyrrolidine

n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

1-(1-Methyl-hexyl)-pyrrolidine

1-(1-Methyl-hexyl)-pyrrolidine

Conditions
ConditionsYield
With sodium tetrahydroborate at 20℃; Neat (no solvent);97%
With sodium tetrahydroborate; silica phosphoric acid In tetrahydrofuran at 20℃; for 0.2h;94%
With sodium tetrahydroborate; silica-gel-supported sulfuric acid at 20℃; for 0.0333333h; Neat (no solvent); regioselective reaction;93%
With borohydride exchange resin; triethylamine hydrochloride In ethanol for 1h; Ambient temperature;89%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

benzene-1,2-diol
120-80-9

benzene-1,2-diol

2-methyl-2-n-pentyl-1,3-benzodioxole
4436-30-0

2-methyl-2-n-pentyl-1,3-benzodioxole

Conditions
ConditionsYield
With Montmorillonite KSF In toluene for 12h; Heating;97%
With toluene-4-sulfonic acid In toluene for 10h; Heating;90%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

benzyl alcohol
100-51-6

benzyl alcohol

1-phenyloctan-3-one
6047-99-0

1-phenyloctan-3-one

Conditions
ConditionsYield
With lithium hydroxide at 140℃; for 48h; Inert atmosphere;97%
With potassium phosphate; aluminum oxyhydroxide; palladium In toluene at 110℃; for 3h;90%
With potassium phosphate tribasic trihydrate; C39H32Cl2N5PRu In tert-Amyl alcohol at 120℃; for 12h; Inert atmosphere; Schlenk technique;79%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

malononitrile
109-77-3

malononitrile

(hept-2-ylidene)malononitrile
13017-54-4

(hept-2-ylidene)malononitrile

Conditions
ConditionsYield
With Na8H[PW9O34]*7H2O In methanol at 25℃; for 6h; Knoevenagel Condensation;96%
With molybdenum hexacarbonyl at 140℃; for 5h; Inert atmosphere;95%
With ammonium acetate; acetic acid
With 0.04O40PW12(3-)*0.73Mg(2+)*0.22Al(3+)*2HO(1-)*0.98H2O In water; isopropyl alcohol at 60℃; for 6h; Knoevenagel Condensation; chemoselective reaction;97 %Chromat.
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

(S)-2-heptanol
6033-23-4

(S)-2-heptanol

Conditions
ConditionsYield
With sodium tetrahydroborate; third-generation glucose-persubstituted amidoamine dendrimer In tetrahydrofuran at -80℃;96%
With sodium tetrahydroborate; D-gluconamide PAMAM dendrimer G(3)G In tetrahydrofuran at -80℃;96%
With dried cells of Geotrichum candidum; NAD; isopropyl alcohol In various solvent(s) at 30℃; for 20h; pH=7.0; Enzymatic reaction;89%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

aniline
62-53-3

aniline

N-(1-methylhexyl)aniline
67915-63-3

N-(1-methylhexyl)aniline

Conditions
ConditionsYield
With sodium tetrahydroborate at 20℃; for 0.25h;96%
With sodium tetrahydroborate at 20℃; for 0.0333333h; Neat (no solvent); grinding;96%
With sodium tetrahydroborate In tetrahydrofuran at 20℃; for 0.0833333h;95%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

n-heptane
142-82-5

n-heptane

Conditions
ConditionsYield
With hydrogen; K-10 montmorillonite; platinum In diethylene glycol dimethyl ether under 37503 Torr; for 24h; Reduction;96%
n-pentyl methyl ketone
110-43-0

n-pentyl methyl ketone

4-methoxy-aniline
104-94-9

4-methoxy-aniline

N-(heptan-2-yl)-4-methoxyaniline
1040047-80-0, 1103497-11-5

N-(heptan-2-yl)-4-methoxyaniline

Conditions
ConditionsYield
With formic acid; C39H48ClIrN2O; sodium formate In water at 50℃; for 12h; pH=4.8;96%

2-Heptanone Chemical Properties

IUPAC Name: heptan-2-one 
Empirical Formula: C7H14O
Molecular Weight: 114.1855 
EINECS: 203-388-1 
Structure of 2-Heptanone (CAS NO.110-43-0):

Index of Refraction: 1.403
Molar Refractivity: 34.5 cm3
Molar Volume: 141.2 cm3
Polarizability: 13.68×10-24cm3
Surface Tension: 24.9 dyne/cm
Density: 0.808 g/cm3
Flash Point: 47.2 °C
Enthalpy of Vaporization: 37.21 kJ/mol 
Melting Point: -35 °C
Boiling Point: 151.2 °C at 760 mmHg
Vapour Pressure: 4.73 mmHg at 25°C 
Storage temp: Flammables area
Water Solubility: 4.3 g/L (20 ºC) 
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. 
Product Categories: Industrial/Fine Chemicals;G-HAlphabetic;HA -HTAnalytical Standards;Alphabetical Listings;H;NMR Reference Standards;NMRStable Isotopes;Spectroscopy;Stable Isotopes

2-Heptanone Toxicity Data With Reference

1.    

skn-rbt 14 mg/24H open MLD

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
2.    

ipr-rat LD50:800 mg/kg

     38MKAJ    Pattys Industrial Hygiene and Toxicology. 2C (1982),4757.
3.    

orl-rat TDLo:45,500 mg/kg/13W-I

     FCTXAV    Food and Cosmetics Toxicology. 10 (1972),625.
4.    

ihl-rat LCLo:4000 ppm/4H

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
5.    

orl-mus LD50:730 mg/kg

     APJUA8    Acta Pharmaceutica Jugoslavica. 12 (1962),79.
6.    

skn-rbt LD50:12,600 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

2-Heptanone Consensus Reports

Reported in EPA TSCA Inventory.

2-Heptanone Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-38-40-48-20/22-10 
R22:Harmful if swallowed. 
R38:Irritating to skin. 
R40:Limited evidence of a carcinogenic effect. 
R48:Danger of serious damage to health by prolonged exposure. 
R20/22:Harmful by inhalation and if swallowed. 
R10:Flammable.
Safety Statements: 36-24/25 
S36:Wear suitable protective clothing. 
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 2
RTECS: MJ5250000
HazardClass: 3
PackingGroup: III
HS Code: 29141990
Moderately toxic by ingestion. Mildly toxic by inhalation and skin contact. A skin irritant. A flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.

2-Heptanone Standards and Recommendations

OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 50 ppm
NIOSH REL: (Ketones) TWA 465 mg/m3
DOT Classification:  3; Label: Flammable Liquid

2-Heptanone Analytical Methods

For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS2:methanol) 1301.

2-Heptanone Specification

  2-Heptanone , its cas register number is 110-43-0. It also can be called Amyl methyl ketone ; Butylacetone ; Ketone C-7 ;
 Ketone, methyl pentyl ; Methyl amyl ketone ; Methyl n-amyl ketone ; Methyl-amyl-cetone ; Methyl-n-amylketone ; Pentyl methyl ketone ; n-Amyl methyl ketone ; n-Pentyl methyl ketone . 2-Heptanone (CAS NO.110-43-0) is a colorless, water-white liquid with a banana-like, fruity odor.

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