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Cas Database

Name	alpha-Hexylcinnamaldehyde	EINECS	202-983-3
CAS No.	101-86-0	Density	0.95 g/cm³
PSA	17.07000	LogP	4.23930
Solubility	N/A	Melting Point	N/A
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	N/A
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;	Article Data	4

alpha-Hexylcinnamaldehyde 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;

: 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%

: 101-86-0
α-hexylcinnamaldehyde

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

: C26H33NO3

Conditions

Conditions	Yield
With potassium hydroxide at 20℃;	84%

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%

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