alpha-Hexylcinnamaldehyde supplier

Name
alpha-Hexylcinnamaldehyde
EINECS 202-983-3
CAS No. 101-86-0
Article Data4
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₀O
Boiling Point 308.1 °C at 760 mmHg
Molecular Weight 216.323
Flash Point 140.5 °C
Transport Information UN 3265 8/PG 3
Appearance
Safety 26-36/37/39-45-36
Risk Codes 36/37/38-34
Molecular Structure
Hazard Symbols C,Xi
Synonyms Cinnamaldehyde,a-hexyl- (6CI,8CI);2-(Phenylmethylene)octanal;2-Hexyl-3-phenyl-2-propenal;2-Hexylcinnamaldehyde;Hexyl cinnamic aldehyde;NSC 406799;NSC 46150;a-Hexylcinnamaldehyde;a-Hexylcinnamic aldehyde;a-Hexylcinnamyl aldehyde;a-n-Hexyl-b-phenylacrolein;a-n-Hexylcinnamaldehyde;
PSA 17.07000
LogP 4.23930

Synthetic route

: 124-13-0
Octanal

: 100-52-7
benzaldehyde

: 101-86-0
α-hexylcinnamaldehyde

Conditions

Conditions	Yield
With benzoic acid; L-proline In neat (no solvent) at 125℃; for 1h; Aldol Condensation; Inert atmosphere;	97%
With nitrogen; potassium hydroxide In methanol; water at 30℃; for 6h;	93.8%
With pyrrolidine In neat (no solvent) at 120℃; for 0.25h; Microwave irradiation;	90%

: 124-13-0
Octanal

: 100-52-7
benzaldehyde

A: 13893-39-5
2-hexyl-2-decenal

B: 101-86-0
α-hexylcinnamaldehyde

Conditions

Conditions	Yield
With p-toluene sulfonic acid impregnated on MCM-41 In neat (no solvent) at 125℃; for 13h; Inert atmosphere; Green chemistry;

...Expand

: 101-86-0
α-hexylcinnamaldehyde

: 53892-67-4
α-hexylcinnamyl alcohol

Conditions

Conditions	Yield
With tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; potassium carbonate In water; isopropyl alcohol at 100℃; under 22502.3 Torr; for 17h; Inert atmosphere;	98%
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O); isopropyl alcohol at 82℃; for 6h; Inert atmosphere; Schlenk technique; chemoselective reaction;	96%
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O); isopropyl alcohol at 82℃; for 6h; Inert atmosphere; Green chemistry;	96%

: 101-86-0
α-hexylcinnamaldehyde

: 107613-28-5
(±)-2-benzyl-1-octanol

Conditions

Conditions	Yield
With sodium tetrahydroborate; palladium diacetate In methanol at 20℃; for 1h;	95%

: 101-86-0
α-hexylcinnamaldehyde

: 28144-70-9
anthranilic acid amide

: 104-53-0
3-phenyl-propionaldehyde

Conditions

Conditions	Yield
With bismuth (III) nitrate pentahydrate In ethanol at 100℃; for 12h; Temperature;	92%

: 101-86-0
α-hexylcinnamaldehyde

: α-hexylcinnamaldehyde-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;	92%

: 101-86-0
α-hexylcinnamaldehyde

A: 107613-28-5
(±)-2-benzyl-1-octanol

B: 53892-67-4
trans-α-n-hexylcinnamic 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 91% B n/a

: 101-86-0
α-hexylcinnamaldehyde

: 28144-70-9
anthranilic acid amide

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

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In toluene at 120℃; for 12h; Inert atmosphere;	88%

: 101-86-0
α-hexylcinnamaldehyde

: 62-53-3
aniline

: 623-47-2
propynoic acid ethyl ester

: ethyl 5-hexyl-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;	84%

...Expand

: 101-86-0
α-hexylcinnamaldehyde

: 1303507-75-6
N-benzyloxy-α-methyl-α-bromopropionamide

: C26H33NO3

Conditions

Conditions	Yield
With potassium hydroxide at 20℃;	84%

: 101-86-0
α-hexylcinnamaldehyde

: 1303507-75-6
N-benzyloxy-α-methyl-α-bromopropionamide

: (E)-3-(benzyloxy)-5,5-dimethyl-2-(1-phenyloct-1-en-2-yl)-oxazolidin-4-one

Conditions

Conditions	Yield
With potassium carbonate at 20℃;	84%

: 101-86-0
α-hexylcinnamaldehyde

: 70-55-3
toluene-4-sulfonamide

: 1589518-79-5
N-(2-hexyl-1H-inden-1-yl)-4-methylbenzenesulfonamide

Conditions

Conditions	Yield
With aluminum (III) chloride In nitromethane at 80℃; for 6h;	75%

: 500-99-2
3,5-dimethoxyphenol

: 101-86-0
α-hexylcinnamaldehyde

: 3-hexyl-5,7-dimethoxy-2-phenyl-2H-chromene

Conditions

Conditions	Yield
With [(C6H6)(PCy3)(CO)RuH]+*BF4−; potassium carbonate; triphenylphosphine In chlorobenzene at 120℃; for 16h; Schlenk technique; regioselective reaction;	72%

: 101-86-0
α-hexylcinnamaldehyde

: 936-02-7
2-Hydroxybenzoylhydrazine

: N'-(2-benzylideneoctylidene)-2-hydroxybenzohydrazide

Conditions

Conditions	Yield
In ethanol at 60 - 70℃; for 8h;	69%

: 101-86-0
α-hexylcinnamaldehyde

: 28144-70-9
anthranilic acid amide

: 2-(1-benzylideneheptyl)-3H-quinazolin-4-one

Conditions

Conditions	Yield
With bismuth (III) nitrate pentahydrate In ethanol at 100℃; for 12h;	68%

: 150-19-6
O-methylresorcine

: 101-86-0
α-hexylcinnamaldehyde

: C22H26O2

Conditions

Conditions	Yield
With [(C6H6)(PCy3)(CO)RuH]+*BF4−; potassium carbonate; triphenylphosphine In chlorobenzene at 130℃; for 16h; Schlenk technique; regioselective reaction;	63%

: 101-86-0
α-hexylcinnamaldehyde

: (E)-MeZnC(CH(Ph))B(pin)

: C29H39BO3

Conditions

Conditions	Yield
at -10℃; for 12h;	60%

: 90-15-3
α-naphthol

: 101-86-0
α-hexylcinnamaldehyde

: C25H26O

Conditions

Conditions	Yield
With [(C6H6)(PCy3)(CO)RuH]+*BF4−; potassium carbonate; triphenylphosphine In chlorobenzene at 130℃; for 12h; Schlenk technique; regioselective reaction;	59%

: 101-86-0
α-hexylcinnamaldehyde

: 5351-23-5
4-hydroxybenzoic acid hydrazide

: N'-(2-benzylideneoctylidene)-4-hydroxybenzohydrazide

Conditions

Conditions	Yield
In ethanol at 60 - 70℃; for 8h;	30%

: 101-86-0
α-hexylcinnamaldehyde

: 100-51-6
benzyl alcohol

: 53892-67-4
2-hexyl-3-phenyl-allyl alcohol

Conditions

Conditions	Yield
With sodium hydroxide at 100℃;

: 543-82-8
1,5-dimethylhexylamine

: 101-86-0
α-hexylcinnamaldehyde

: 30121-85-8
(1,5-Dimethyl-hexyl)-[2-[1-phenyl-meth-(E)-ylidene]-oct-(E)-ylidene]-amine

: 101-86-0
α-hexylcinnamaldehyde

: 106-95-6
allyl bromide

: 103826-27-3
1-Phenyl-2-hexyl-1,5-hexadien-3-ol

Conditions

Conditions	Yield
With bismuth 1) DMF, r.t., 4 h, 2) r.t., 3 h; Yield given. Multistep reaction;
With bismuth 1.) DMF, room temperature, 2 h, 2.) DMF, room temperature, 2 h; Yield given. Multistep reaction;

: 101-86-0
α-hexylcinnamaldehyde

: allophanic acid-(2-hexyl-3-phenyl-allyl ester)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOH / 100 °C View Scheme

: 108-86-1
bromobenzene

: 101-86-0
α-hexylcinnamaldehyde

: 1,3-diphenyl-2-n-hexyl-2-propen-1-ol

Conditions

Conditions	Yield
With sodium hydrogencarbonate; magnesium In tetrahydrofuran; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water

: 101-86-0
α-hexylcinnamaldehyde

: C29H39BO5

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 12 h / -10 °C 2: bis(acetylacetonate)oxidovanadium(IV); tert.-butylhydroperoxide / dichloromethane / 2 h / 0 °C View Scheme

: 101-86-0
α-hexylcinnamaldehyde

: C29H39BO4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 12 h / -10 °C 2: bis(acetylacetonate)oxidovanadium(IV); tert.-butylhydroperoxide / dichloromethane / 0 °C View Scheme

: 101-86-0
α-hexylcinnamaldehyde

: C23H28O4

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 12 h / -10 °C 2: bis(acetylacetonate)oxidovanadium(IV); tert.-butylhydroperoxide / dichloromethane / 2 h / 0 °C 3: sodium hydroxide; dihydrogen peroxide / tetrahydrofuran / 0 °C View Scheme

: 101-86-0
α-hexylcinnamaldehyde

: C23H28O4

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 12 h / -10 °C 2: bis(acetylacetonate)oxidovanadium(IV); tert.-butylhydroperoxide / dichloromethane / 2 h / 0 °C 3: sodium hydroxide; dihydrogen peroxide / tetrahydrofuran / 0 °C 4: boron trifluoride diethyl etherate / tetrahydrofuran / 20 °C View Scheme

: 998-30-1
Triethoxysilane

: 101-86-0
α-hexylcinnamaldehyde

: C21H36O4Si

Conditions

Conditions	Yield
With C24H41FFeNP3 In tetrahydrofuran at 60℃; for 7h; Inert atmosphere; Schlenk technique;
With C18H37F5FeP4 In tetrahydrofuran at 40℃; Schlenk technique; Inert atmosphere;
With o-Ph2P(C6H4)Si(Me)2Fe(H)(PMe3)3 In tetrahydrofuran at 50℃; for 4h; Schlenk technique;
With 2C4H8O*C42H47FeOP5 In tetrahydrofuran at 60℃; for 36h; Inert atmosphere; Schlenk technique;

: 101-86-0
α-hexylcinnamaldehyde

: C30H33NO3S

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: triphenylphosphine / dichloromethane / 0.17 h / 0 °C 1.2: 1 h / 0 °C 2.1: n-butyllithium / tetrahydrofuran; cyclohexane / 1 h / -78 °C 3.1: n-butyllithium / tetrahydrofuran / -78 - 20 °C 4.1: potassium carbonate; gold(I) chloride / 1,2-dichloro-ethane / 60 °C View Scheme

: 101-86-0
α-hexylcinnamaldehyde

: C37H39NO6S2

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: triphenylphosphine / dichloromethane / 0.17 h / 0 °C 1.2: 1 h / 0 °C 2.1: n-butyllithium / tetrahydrofuran; cyclohexane / 1 h / -78 °C 3.1: n-butyllithium / tetrahydrofuran / -78 - 20 °C 4.1: potassium carbonate; gold(I) chloride / 1,2-dichloro-ethane / 60 °C View Scheme

alpha-Hexylcinnamaldehyde Chemical Properties

Molecular Formula: C₁₅H₂₀O
Formula Weight: 216.32
bp : 174-176 ^°C15 mm Hg(lit.)
density : 0.95 g/mL at 25 ^°C(lit.)
refractive index : n20/D 1.55(lit.)
Fp : 200 ^°F
nature of HEXYL CINNAMALDEHYDE: pale yellow viscous liquid slightly.Soluble ethanol, do not dissolve in water, propylene glycol, glycerin. Yi oxidation.

alpha-Hexylcinnamaldehyde Uses

HEXYL CINNAMALDEHYDE are jasmine scent, a-amylcinnamaldehyde and with even more flavor, more stable. For soap, detergent.

alpha-Hexylcinnamaldehyde Production

benzaldehyde and octyl acid in the presence of alkali generated from condensation.

alpha-Hexylcinnamaldehyde Toxicity Data With Reference

1.		skn-rbt 500 mg/24H MOD		FCTXAV Food and Cosmetics Toxicology. 12 (1974),915.
2.		orl-rat LD50:3100 mg/kg		FCTXAV Food and Cosmetics Toxicology. 12 (1974),915.

alpha-Hexylcinnamaldehyde Consensus Reports

Reported in EPA TSCA Inventory.

alpha-Hexylcinnamaldehyde Safety Profile

Hazard Codes : C,Xi
Risk Statements : 36/37/38-34
Safety Statements : 26-36/37/39-45-36
RIDADR : UN 3265 8/PG 3
WGK Germany : 2
RTECS : GD6560000
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES.

alpha-Hexylcinnamaldehyde Standards and Recommendations

Assay of HEXYL CINNAMALDEHYDE: Approx.95%

Product Name

alpha-Hexylcinnamaldehyde

Synthetic route

alpha-Hexylcinnamaldehyde Chemical Properties

alpha-Hexylcinnamaldehyde Uses

alpha-Hexylcinnamaldehyde Production

alpha-Hexylcinnamaldehyde Toxicity Data With Reference

alpha-Hexylcinnamaldehyde Consensus Reports

alpha-Hexylcinnamaldehyde Safety Profile

alpha-Hexylcinnamaldehyde Standards and Recommendations

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