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101-86-0

101-86-0 Structure

101-86-0 Structure
IdentificationMore
[Name]

alpha-Hexylcinnamaldehyde
[CAS]

101-86-0
[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
[EINECS(EC#)]

202-983-3
[Molecular Formula]

C15H20O
[MDL Number]

MFCD00006989
[Molecular Weight]

216.32
[MOL File]

101-86-0.mol
Chemical PropertiesBack Directory
[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.
[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.
[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)
Hazard InformationBack Directory
[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.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
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.
[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 .
[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).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzaldehyde-->alpha-Amylcinnamaldehyde-->Octanal
Spectrum DetailBack Directory
[Spectrum Detail]

alpha-Hexylcinnamaldehyde(101-86-0)MS
alpha-Hexylcinnamaldehyde(101-86-0)1HNMR
alpha-Hexylcinnamaldehyde(101-86-0)13CNMR
alpha-Hexylcinnamaldehyde(101-86-0)IR1
alpha-Hexylcinnamaldehyde(101-86-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

101-86-0(sigmaaldrich)
[TCI AMERICA]

alpha-Hexylcinnamaldehyde,>90.0%(GC)(101-86-0)
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