ChemicalBook--->CAS DataBase List--->122-40-7

122-40-7

122-40-7 Structure

122-40-7 Structure
IdentificationMore
[Name]

Amylcinnamaldehyde
[CAS]

122-40-7
[Synonyms]

2-benzylidene heptanal
2-PENTYL-3-PHENYLPROPENOIC ALDEHYDE
2-(Phenylmethylene)-heptanal
A-AMYL CINNAMIC ALDEHYDE
ACA
ALPHA-AMYLCINNAMALDEHYDE
ALPHA-AMYL CINNAMIC ALDEHYDE
ALPHA-N-AMYLCINNAMALDEHYDE
ALPHA-N-AMYL CINNAMIC ALDEHYDE
ALPHA-PENTYLCINNAMALDEHYDE
Amylcinnamaldehyde
AMYL CINNAMIC ALDEHYDE
A-PENTYLCINNAMALDEHYDE
FEMA 2061
JASMINAL
(2Z)-2-Pentyl-3-phenyl-2-propenal
.alpha.-Pentylcinnaldehyde
2-(phenylmethylene)-heptana
2-benzylidene-heptana
2-Pentyl-3-phenyl-2-propen-1-al
[EINECS(EC#)]

204-541-5
[Molecular Formula]

C14H18O
[MDL Number]

MFCD00006988
[Molecular Weight]

202.29
[MOL File]

122-40-7.mol
Chemical PropertiesBack Directory
[Melting point ]

80°C
[Boiling point ]

287-290 °C(lit.)
[density ]

0.97 g/mL at 25 °C(lit.)
[vapor pressure ]

0.133Pa at 25℃
[FEMA ]

2061
[refractive index ]

n20/D 1.557(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Insoluble in water
[form ]

neat
[color ]

Pale-yellow oil or liquid
[Odor]

floral jasmine odor
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

181.69mg/L at 25℃
[JECFA Number]

685
[Henry's Law Constant]

1.3×100 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[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/b14-11+
[Contact allergens]

a-Amyl-cinnamic aldehyde is an oxidation product of amylcinnamic alcohol, a sensitizing fragrance, and one component of the “fragrance mix.” It can also be a sensitizer in bakers. It has to be mentioned by name in cosmetics within the EU.
[InChIKey]

HMKKIXGYKWDQSV-SDNWHVSQSA-N
[SMILES]

[H]C(/C(CCCCC)=C/C1=CC=CC=C1)=O
[LogP]

2.498 at 25℃
[Uses]

Amylcinnamaldehyde is a flavoring agent that is a yellow liquid with an odor similar to jasmine. It is insoluble in glycerin and propylene, soluble in fixed oils and mineral oil. It is obtained by chemical synthesis. It can be used alone or in combination with other flavoring substances or adjuvants. It is also termed amylcinnomaldehyde.
[CAS DataBase Reference]

122-40-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Heptanal, 2-(phenylmethylene)-(122-40-7)
[EPA Substance Registry System]

122-40-7(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

Light yellow transparent liquid
[Description]

Amylcinnamic aldehyde is an oxidation product of amylcinnamic alcohol, one component of the "fragrance mix" and can be found as a sensitizer in cases of contact dermatitis in bakers.
[Occurrence]

Reported found in black tea and soybean
[Definition]

ChEBI: Alpha-Amylcinnamaldehyde is a member of cinnamaldehydes.
[Preparation]

By condensation of n-amyl aldehyde with cinnamic aldehyde. This method of condensation of aromatic aldehydes with aliphatic aldehydes has the maximum yield in α-amylcinnamic aldehyde with little formation of the inferior homologs. The methyl, ethyl and propyl amylcinnamic aldehyde analogs exhibit a characteristic scent.
[Taste threshold values]

Taste characteristics at 40 ppm: sweet, floral, spice-like with cinnamic and waxy nuance
[General Description]

The short-term feeding studies in rats was carried out using α-amylcinnamaldehyde, a flavouring matter.
[Flammability and Explosibility]

Notclassified
[Metabolism]

So far as is known, all aromatic aldehydes are metabolized in the animal body by oxidation to the corresponding acids. In some instances, the aldehydes are excreted as glucuronides. Cinnamic aldehyde is oxidized to cinnamic acid which is then degraded to benzoic acid, but ethyl cinnamic aldehyde is oxidized to the corresponding acid and is not further metabolized(Williams, 1959).
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H317-H411
[Precautionary statements ]

P280
[Hazard Codes ]

Xi,N
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 3082 9 / PGIII
[WGK Germany ]

2
[RTECS ]

GD6825000
[TSCA ]

TSCA listed
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29122990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Skin Sens. 1
[Safety Profile]

Moderately toxic by ingestion. A severe skin irritant. See also ALDEHYDES. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

122-40-7(Hazardous Substances Data)
[Toxicity]

LD50 orl-rat: 3730 mg/kg FCTXAV 2,327,64
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium chloride-->Benzaldehyde-->Castor oil-->Potassium hydroxide solution-->Diphenylamine-->Heptaldehyde-->trans-Cinnamic acid-->ISOAMYL ALCOHOL
[Preparation Products]

alpha-Hexylcinnamaldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Amylcinnamaldehyde(122-40-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

alpha-Amylcinnamaldehyde(122-40-7)MS
alpha-Amylcinnamaldehyde(122-40-7)1HNMR
alpha-Amylcinnamaldehyde(122-40-7)13CNMR
alpha-Amylcinnamaldehyde(122-40-7)IR1
alpha-Amylcinnamaldehyde(122-40-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

122-40-7(sigmaaldrich)
[TCI AMERICA]

alpha-Amylcinnamaldehyde,>90.0%(GC)(122-40-7)
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