Amylcinnamaldehyde supplier

Name
Amylcinnamaldehyde
EINECS 204-541-5
CAS No. 122-40-7
Article Data24
CAS DataBase
Density 0.963 g/cm³
Solubility 181.69mg/L at 25℃
Melting Point 80°C
Formula C₁₄H₁₈O
Boiling Point 288.499 °C at 760 mmHg
Molecular Weight 202.296
Flash Point 131.139 °C
Transport Information
Appearance clear to pale yellow liquid
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Cinnamaldehyde,a-amyl- (4CI);Cinnamaldehyde, a-pentyl- (6CI,7CI,8CI);2-(Phenylmethylene)heptanal;2-Benzylideneheptanal;Amylcinnamic acid aldehyde;Amylcinnamic aldehyde;Flomine;Jasminal;Jasminaldehyde;Jasmine aldehyde;Pentylcinnamaldehyde;a-Amyl-b-phenylacrolein;a-Amylcinnamal;a-Amylcinnamaldehyde;a-Pentylcinnamaldehyde;Alpha-amyl cinnamaldehyde;
PSA 17.07000
LogP 3.84920

Synthetic route

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

: 122-40-7
jasminaldehyde

Conditions

Conditions	Yield
With benzoic acid; L-proline In neat (no solvent) at 125℃; for 1h; Reagent/catalyst; Time; Aldol Condensation; Inert atmosphere;	97%
With amino-functionalized [Zr6O4(OH)4(O2C-C6H4-CO2)6], UiO-66(NH2) at 159.84℃; for 1h; cross-aldol condensation; chemoselective reaction;	90%
With potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane for 3h;	80%

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

A: 3021-89-4
2-pentyl-2-nonenal

B: 122-40-7
jasminaldehyde

Conditions

Conditions	Yield
With chitosan/titanium dioxide microspheres In toluene at 80℃; for 4h; Inert atmosphere;
With chitosan at 160℃; for 8h; chemoselective reaction;
With aluminum oxide In toluene at 120℃; Inert atmosphere;

...Expand

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

A: 73757-32-1
2-n-pentyl-2-nonenal

B: 122-40-7
jasminaldehyde

Conditions

Conditions	Yield
With cetyltrimethylammonim bromide; sodium hydroxide In water at 30℃; for 4h; Concentration;

...Expand

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

A: 111-14-8
oenanthic acid

B: 122-40-7
jasminaldehyde

C: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In water at 30℃; for 72h;

...Expand

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

A: 3021-89-4, 49562-91-6, 49562-92-7
(E)-2-n-pentyl-2-n-nonenal

B: 122-40-7
jasminaldehyde

Conditions

Conditions	Yield
With potassium hydroxide; Aliquat 336 at 118℃; for 0.0166667h; Irradiation;	A 18% B 82%
With calcined-hydrotalcite supported on hexagonal mesoporous silica at 150℃; Mechanism; Kinetics; Aldol condensation; Inert atmosphere;

...Expand

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

steel: steel

: 122-40-7
jasminaldehyde

Conditions

Conditions	Yield
at 200℃;

...Expand

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

A: 111-14-8
oenanthic acid

B: 122-40-7
jasminaldehyde

Conditions

Conditions	Yield
With 4-dimethylaminopyridine functionalized zirconium-benzene-1,4-dicarboxylate-metal organic framework for 1h; Catalytic behavior; Reagent/catalyst; Aldol Condensation;

...Expand

: 111-71-7
heptanal

: 100-52-7
benzaldehyde

A: 3021-89-4
2-pentyl-2-nonenal

B: 111-14-8
oenanthic acid

C: 122-40-7
jasminaldehyde

Conditions

Conditions	Yield
With diethylamine for 1h; Catalytic behavior; Reagent/catalyst; Aldol Condensation;

...Expand

: 111-71-7
heptanal

: 64-17-5
ethanol

: 100-52-7
benzaldehyde

diluted NaOH-solution: diluted NaOH-solution

: 122-40-7
jasminaldehyde

...Expand

: 122-40-7
jasminaldehyde

: 101-85-9
α-pentylcinnamyl alcohol

Conditions

Conditions	Yield
With formic acid; iron(II) tetrafluoroborate hexahydrate; tris(2-diphenylphosphinoethyl)phosphine In tetrahydrofuran at 60℃; for 2h; Schlenk technique; Inert atmosphere;	99%
With iron(II) fluoro{tris[2-(diphenylphosphino)phenyl]phospino}tetrafluoroborate; hydrogen; trifluoroacetic acid In isopropyl alcohol at 120℃; under 15001.5 Torr; Inert atmosphere; Autoclave; chemoselective reaction;	98%
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O); isopropyl alcohol at 82℃; for 6h; Inert atmosphere; Schlenk technique; chemoselective reaction;	97%

: 122-40-7
jasminaldehyde

: 92368-90-6
(±)-2-benzyl-1-heptanol

Conditions

Conditions	Yield
With sodium tetrahydroborate; palladium diacetate In methanol at 20℃; for 0.5h;	98%

: 122-40-7
jasminaldehyde

: α-amylcinnamaldehyde-α-d1

Conditions

Conditions	Yield
With 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; water-d2; potassium acetate In dichloromethane at 50℃; for 12h;	96%

: 1352211-40-5
(1-bromovinyl)triisopropylsilane

: 122-40-7
jasminaldehyde

: 1352210-55-9
(E)-4-benzylidene-2-(triisopropylsilyl)non-1-en-3-ol

Conditions

Conditions	Yield
Stage #1: (1-bromovinyl)triisopropylsilane With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: jasminaldehyde In tetrahydrofuran; hexane at -78℃; Inert atmosphere;	94%

: 24762-04-7
2-Diazo-3-oxo-butyric acid methyl ester

: 69739-34-0
t-butyldimethylsiyl triflate

: 122-40-7
jasminaldehyde

: C25H38N2O4Si

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; zinc trifluoromethanesulfonate In dichloromethane at -78 - 20℃; Mukaiyama reaction; Inert atmosphere; regioselective reaction;	92%

...Expand

: 122-40-7
jasminaldehyde

A: 92368-90-6
(±)-2-benzyl-1-heptanol

B: 101-85-9
α-pentylcinnamyl alcohol

Conditions

Conditions	Yield
With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; sodium formate In water at 80℃; for 0.5h; Schlenk technique; chemoselective reaction;	A 92% B n/a

: 122-40-7
jasminaldehyde

: 149-73-5
trimethyl orthoformate

: 951402-70-3
1-methoxy-2-pentyl-1H-indene

Conditions

Conditions	Yield
With iron(III) chloride In acetic acid methyl ester Heating;	90%

: 108-24-7
acetic anhydride

: 122-40-7
jasminaldehyde

: 2-pentyl-1H-inden-1-yl acetate

Conditions

Conditions	Yield
iron(III) chloride In acetic acid for 3h; Heating / reflux;	87%

: 122-40-7
jasminaldehyde

: 62-53-3
aniline

: 623-47-2
propynoic acid ethyl ester

: ethyl 5-pentyl-1,4-diphenyl-1,4-dihydropyridine-3-carboxylate

Conditions

Conditions	Yield
With copper(II) bis(trifluoromethanesulfonate) In toluene at 70℃; for 6h; Schlenk technique; Inert atmosphere;	86%

...Expand

: 28144-70-9
anthranilic acid amide

: 122-40-7
jasminaldehyde

: 2-(1-phenyl-2-heptyl)quinazolin-4(3H)-one

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In toluene at 120℃; for 12h; Inert atmosphere;	84%

: 122-40-7
jasminaldehyde

: 5621-58-9
2-benzylheptanal

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In methanol at 20℃; for 20h;	75%
With 5%-palladium/activated carbon; hydrogen; potassium carbonate In methanol at 39.84℃; under 3750.38 Torr; for 0.833333h; Autoclave; chemoselective reaction;	97.6 %Chromat.

: 92138-20-0, 102518-79-6, 103735-86-0, 120786-18-7, 130791-77-4, 132435-40-6
natural Huperzine A

: 122-40-7
jasminaldehyde

: C29H34N2O

Conditions

Conditions	Yield
With triethylamine In methanol at 60℃;	72.8%

: C13H18N4O7

: 122-40-7
jasminaldehyde

: C27H34N4O7

Conditions

Conditions	Yield
With acetic acid In ethanol at 20℃; for 0.5h;	66%

: 122-40-7
jasminaldehyde

: 95-54-5
1,2-diamino-benzene

A: 5851-48-9
2-hexylbenzimidazole

B: 716-79-0
2-phenyl-1H-benzoimidazole

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide; water at 150℃; for 0.166667h; Microwave irradiation; Green chemistry;	A 61% B 50%

...Expand

: 673-32-5
1-Phenylprop-1-yne

: 122-40-7
jasminaldehyde

: C23H28O

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; (2S,4S)-2,4-bis(diphenylphosphino)pentane; N-ethyl-N,N-diisopropylamine; cobalt(II) bromide In tetrahydrofuran at 20℃; for 24h; Irradiation; Inert atmosphere; Schlenk technique; stereoselective reaction;	10%

: 495-69-2
Hippuric Acid

: 122-40-7
jasminaldehyde

: 4-(2-pentyl-3-phenyl-allylidene)-2-phenyl-4H-oxazol-5-one

Conditions

Conditions	Yield
With sodium acetate; acetic anhydride

: 122-40-7
jasminaldehyde

: 105-56-6
ethyl 2-cyanoacetate

: 2-cyano-4-pentyl-5-phenyl-penta-2,4-dienoic acid ethyl ester

Conditions

Conditions	Yield
With piperidine

: 105-36-2
ethyl bromoacetate

: 122-40-7
jasminaldehyde

: 53394-44-8
3-Hydroxy-4-benzyliden-nonansaeure

Conditions

Conditions	Yield
(i) Zn, benzene, ether, (ii) KOH, EtOH; Multistep reaction;

: 543-82-8
1,5-dimethylhexylamine

: 122-40-7
jasminaldehyde

: 30121-84-7
(1,5-Dimethyl-hexyl)-[2-[1-phenyl-meth-(E)-ylidene]-hept-(E)-ylidene]-amine

: 5397-03-5
hydrazinecarbodithioic acid methyl ester

: 122-40-7
jasminaldehyde

: 26174-31-2
N'-[2-[1-Phenyl-meth-(E)-ylidene]-hept-(E)-ylidene]-hydrazinecarbodithioic acid methyl ester

: 95-80-7
4-methylbenzene-1,3-diamine

: 122-40-7
jasminaldehyde

: 134668-01-2
4-Methyl-N1,N3-bis-[2-[1-phenyl-meth-(E)-ylidene]-hept-(E)-ylidene]-benzene-1,3-diamine

Conditions

Conditions	Yield
In ethanol for 5h; Heating; also ZnCl2, 160 deg C, 0.5 h, 180 deg C, 5 min;

: 122-40-7
jasminaldehyde

A: 16252-10-1
2-methyl-1-phenyl-heptane

B (+-)-<2-hydroxymethyl-heptyl>-benzene: (+-)-<2-hydroxymethyl-heptyl>-benzene

Conditions

Conditions	Yield
With ethanol; palladium Hydrogenation;

: 122-40-7
jasminaldehyde

: 134667-74-6
C39H46N2O2S2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. ethanol / 5 h / Heating; also ZnCl2, 160 deg C, 0.5 h, 180 deg C, 5 min 2: 61 percent / benzene / 6 h / Heating View Scheme

: 122-40-7
jasminaldehyde

: 134667-88-2
C41H50N2O2S2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. ethanol / 5 h / Heating; also ZnCl2, 160 deg C, 0.5 h, 180 deg C, 5 min 2: 64 percent / benzene / 6 h / Heating View Scheme

: 122-40-7
jasminaldehyde

: 53394-47-1
3-Pentyl-4-phenyl-buta-1,3-dien

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) Zn, benzene, ether, (ii) KOH, EtOH 2: 98 °C / 20 Torr / (thermolysis) View Scheme

Amylcinnamaldehyde Consensus Reports

Reported in EPA TSCA Inventory.

Amylcinnamaldehyde Specification

The Amylcinnamaldehyde, with the CAS registry number 122-40-7, is also known as Heptanal, 2-(phenylmethylene)-. It belongs to the product categories of Pharmaceutical Intermediates; Aldehydes; C10 to C21; Carbonyl Compounds; A-B; Alphabetical Listings; Flavors and Fragrances. Its EINECS registry number is 204-541-5. This chemical's molecular formula is C₁₄H₁₈O and molecular weight is 202.29. What's more, its systematic name is called 2-Benzylideneheptanal. It is widely used in making various types of daily chemical flavor, allocation of jasmine, lily of the valley, lilac, etc.

Physical properties about Amylcinnamaldehyde are: (1)ACD/LogP: 4.357; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.36; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 1204.95; (6)ACD/BCF (pH 7.4): 1204.95; (7)ACD/KOC (pH 5.5): 5584.16; (8)ACD/KOC (pH 7.4): 5584.16; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 65.336 cm³; (15)Molar Volume: 210.063 cm³; (16)Polarizability: 25.901×10^-24cm³; (17)Surface Tension: 35.909 dyne/cm; (18)Density: 0.963 g/cm³; (19)Flash Point: 131.139 °C; (20)Enthalpy of Vaporization: 52.774 kJ/mol; (21)Boiling Point: 288.499 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

Preparation of Amylcinnamaldehyde: this chemical can be prepared by benzaldehyde with heptanal. This reaction needs reagent K₂CO₃, catalyst benzyltriethylammonium chloride and solvent CH₂Cl₂. The reaction time is 3 hours. The yield is 80 %.

Amylcinnamaldehyde can be prepared by benzaldehyde with heptanal.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CC(=Cc1ccccc1)CCCCC
(2) InChI: InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3
(3) InChIKey: HMKKIXGYKWDQSV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3730mg/kg (3730mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Product Name

Amylcinnamaldehyde

Synthetic route

Amylcinnamaldehyde Consensus Reports

Amylcinnamaldehyde Specification

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