ChemicalBook CAS DataBase List 101-86-0

101-86-0

Name	alpha-Hexylcinnamaldehyde
CAS	101-86-0
EINECS(EC#)	202-983-3
Molecular Formula	C15H20O
MDL Number	MFCD00006989
Molecular Weight	216.32
MOL File	101-86-0.mol

Synonyms

2-[1-PHENYL-METH-(E)-YLIDENE]-OCTANAL A-HEXYLCINNAMALDEHYDE A-HEXYLCINNAMIC ALDEHYDE ALPHA-HEXYLCINNAMALDEHYDE ALPHA-HEXYLCINNAMIC ALDEHYDE ALPHA-N-HEXYLCINNAMALDEHYDE A-N-HEXYL-B-PHENYLACROLEIN FEMA 2569 HCA HEXYLCINNAMALDEHYDE HEXYL CINNAMIC ALDEHYDE JASMONAL H (2Z)-2-Hexyl-3-phenyl-2-propenal .alpha.-hexylcinnamaldehyde(positivecontrolchemical) 2-(phenylmethylene)-octana 2-(phenylmethylene)-Octanal 2-(Phenylmethylene)octanal,a-Hexyl-phenylacrolein 2-Hexyl-3-phenyl-2-propenal 2-hexylcinnamaldehyde a-Hexylcinnamalbehyde

Chemical Properties

Appearance	Pale-yellow liquid; jasminelike odor, particularly on dilution. Soluble in most fixed oils and in mineral oil; insoluble in glycerol and in propylene glycol.
Boiling point	174-176 °C15 mm Hg(lit.)
density	0.95 g/mL at 25 °C(lit.)
FEMA	2569
refractive index	n20/D 1.55(lit.)
Fp	200 °F
storage temp.	2-8°C
solubility	water: soluble0.005g/L at 25°C
form	Oil
color	Clear Yellow
Odor	at 100.00 %. fresh floral green jasmin herbal waxy
biological source	synthetic
Odor Type	floral
JECFA Number	686
Henry's Law Constant	1.0×10⁰ mol/(m³Pa) at 25℃, Dupeux et al. (2022)
Stability:	Hygroscopic
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
Contact allergens	Hexyl cinnamic aldehyde is a fragrance allergen. Its presence has to be mentioned by name in cosmetics within the EU. less more
InChIKey	GUUHFMWKWLOQMM-NTCAYCPXSA-N
SMILES	[H]C(=O)\C(CCCCCC)=C\c1ccccc1
LogP	5.33
Uses	hexyl cinnamal is also known as hexyl cinnamic aldehyde. It is a fragrance that provides a floral, jasmine-like scent. less more
CAS DataBase Reference	101-86-0(CAS DataBase Reference)
NIST Chemistry Reference	Octanal, 2-(phenylmethylene)-(101-86-0)
EPA Substance Registry System	101-86-0(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS09
Signal word	Warning
Hazard statements	H317-H410
Precautionary statements	P261-P272-P273-P280-P302+P352-P333+P313
Hazard Codes	C,Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R34:Causes burns. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36:Wear suitable protective clothing . less more
RIDADR	UN 3265 8/PG 3
WGK Germany	2
RTECS	GD6560000
TSCA	TSCA listed
HS Code	29122990
Storage Class	10 - Combustible liquids
Hazard Classifications	Aquatic Acute 1 Aquatic Chronic 2 Skin Sens. 1
Toxicity	The acute oral LD₅₀ value in rats was reported as 3.1 g/kg (2.45-3.75 g/kg) (Moreno, 1971). The acute dermal LD₅₀ value in rabbits was reported as > 3 g/kg (Moreno, 1971). less more

Raw materials And Preparation Products

Hazard Information

Uses

α-Hexylcinnamaldehyde is characterized by a typical floral scent, which makes them suitable to be used as fragrances in personal care (perfumes, creams, shampoos, etc.) and household products. It has been also used as flavouring additive in food and pharmaceutical industry.

Definition

ChEBI: A member of the class of cinnamaldehydes carrying a hexyl substituent at the alpha-position.

Hazard

Combustible.

Description

α-Hexylcinnamaldehyde has a jasmine-like odor, particularly on dilution. May be synthesized by condensation of octylaldehyde with benzaldehyde.

Chemical Properties

alpha-Hexylcinnamaldehyde is a yellow liquid with a mild, slightly fatty, floral, somewhat herbal odor, and a distinct jasmine note. Similarly to the ??-amyl homolog, ??-hexylcinnamaldehydemust be protected against oxidation by the addition of stabilizers. It is prepared in a manner similar to that of ??-amylcinnamaldehyde by alkaline condensation of excess benzaldehyde with octanal (instead of heptanal). ??-Hexylcinnamaldehyde is widely used in flower compositions (e.g., jasmine and gardenia) and, because of its stability to alkali, in soap perfumes.

Chemical Properties

Hexyl cinnamaldehyde has a jasmine-like odor, particularly on dilution.

Chemical Properties

Pale-yellow liquid; jasminelike odor, particularly on dilution. Soluble in most fixed oils and in mineral oil; insoluble in glycerol and in propylene glycol.

Occurrence

Reported found in cooked, scented rice.

Preparation

By condensation of octylaldehyde with benzaldehyde

Taste threshold values

Taste characteristics at 5 ppm: sweet, waxy, floral, green, citrus and fruity nuances

General Description

Solubilization of α-hexylcinnamaldehyde by the ionic surfactants, sodium dodecyl sulfate and dodecyltrimethylammonium chloride and a non-ionic surfactant such as dodecyl polyoxyethylene ethers has been investigated.

Solubility in organics

Insoluble in Propylene glycol and Glycerin. Soluble in alcohol, miscible with oils.

Spectrum Detail

Well-known Reagent Company Product Information

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