Home Aldehydes Alpha-amylcinnamaldehyde

Alpha-amylcinnamaldehyde

CAS No.:
122-40-7
Catalog Number:
AG0016JD
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$155
- +
Product Description
Catalog Number:
AG0016JD
Chemical Name:
Alpha-amylcinnamaldehyde
CAS Number:
122-40-7
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
MDL Number:
MFCD00006988
IUPAC Name:
2-benzylideneheptanal
InChI:
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
InChI Key:
HMKKIXGYKWDQSV-UHFFFAOYSA-N
SMILES:
CCCCCC(=Cc1ccccc1)C=O
FEMA Number:
2061
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.2  
Literature
Title Journal
SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study. Toxicology in vitro : an international journal published in association with BIBRA 20160401
Quantitative determination of some volatile suspected allergens in cosmetic creams spread on skin by direct contact sorptive tape extraction-gas chromatography-mass spectrometry. Journal of chromatography. A 20100416
Allergic and photoallergic contact dermatitis from ketoprofen: evaluation of cross-reactivities by a combination of photopatch testing and computerized conformational analysis. Current pharmaceutical design 20080101
Sensitization to 26 fragrances to be labelled according to current European regulation. Results of the IVDK and review of the literature. Contact dermatitis 20070701
Protein binding and metabolism influence the relative skin sensitization potential of cinnamic compounds. Chemical research in toxicology 20040301
Fragrance contact dermatitis: a worldwide multicenter investigation (Part II). Contact dermatitis 20010601
Characterization of T cell responses to fragrances. Toxicology and applied pharmacology 20010501
Properties