Phenylpropyl aldehyde

Phenylpropyl aldehyde
  • CAS No.:104-53-0
Other grades of this product :
Phenylpropyl aldehyde Basic information
Product Name:Phenylpropyl aldehyde
Synonyms:TIMTEC-BB SBB006730;PHENYLPROPYL ALDEHYDE;3-Phenylpropanaldehyde;NSC 9271;PHENYLPROPYL ALDEHYDE ( 3-PHENYLPROPIONALDEHYDE );3-Phenylprpanal;Hydrocinnamaldehyde,3-Phenylpropionaldehyde;3-Phenylpropionaldehyde, 95% 5GR
CAS:104-53-0
MF:C9H10O
MW:134.18
EINECS:203-211-8
Product Categories:Aromatics;Aromatics Compounds;Aroma Chemicals
Mol File:104-53-0.mol
Phenylpropyl aldehyde Chemical Properties
Melting point -42 °C
Boiling point 97-98 °C/12 mmHg (lit.)
density 1.019 g/mL at 25 °C (lit.)
vapor pressure 15 hPa (98 °C)
FEMA 2887 | 3-PHENYLPROPIONALDEHYDE
refractive index n20/D 1.523(lit.)
Fp 203 °F
storage temp. Store below +30°C.
solubility 0.74mg/l
form Liquid
color Clear colorless to light yellow
Water Solubility Miscible with chloroform, dichloromethane, ethyl acetate, alcohol and ether. Immiscible with water.
Sensitive Air Sensitive
JECFA Number645
BRN 1071910
InChIKeyYGCZTXZTJXYWCO-UHFFFAOYSA-N
CAS DataBase Reference104-53-0(CAS DataBase Reference)
NIST Chemistry Reference3-Phenylpropanal(104-53-0)
EPA Substance Registry SystemBenzenepropanal (104-53-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/38-36/37/38
Safety Statements 26-36-37/39
WGK Germany 2
RTECS MW4890000
10-23
Autoignition Temperature245 °C DIN 51794
TSCA Yes
HS Code 29122900
ToxicityLD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
MSDS Information
ProviderLanguage
Benzylacetaldehyde English
SigmaAldrich English
ACROS English
ALFA English
Phenylpropyl aldehyde Usage And Synthesis
Chemical PropertiesPale Yellow Oil
Chemical PropertiesPhenylpropyl aldehyde occurs in Sri Lanka cinnamon bark oil, among others. The aldehyde is a colorless liquid with a strong, floral, slightly balsamic, heavy hyacinth-like odor. It tends to undergo self-condensation. Dihydrocinnamaldehyde can be obtained with scarcely any byproducts by selective hydrogenation of cinnamaldehyde. It is used in perfumery for hyacinth and lilac compositions.
Chemical Properties3-Phenylpropionaldehyde has a strong, pungent, floral odor reminiscent of hyacinth with a balsamic, green, warm (almost burning) flavor.
OccurrenceReported found in the essential oil of Ceylon cinnamon and in strawberry. Also reported found in tomato, cinnamon, cassia leaf, Gruyere de Comte cheese, beer, cooked trassi, origanum (Spanish) and strawberry.
Uses3-Phenylpropanal (cas# 104-53-0) is a compound useful in organic synthesis.
PreparationFrom phenyl propionitrile; also from cinnamic aldehyde diethylacetal.
Taste threshold valuesTaste characteristics at 20 ppm: green, melon, fruity and citrus.
Synthesis Reference(s)Chemical and Pharmaceutical Bulletin, 42, p. 1041, 1994 DOI: 10.1248/cpb.42.1041Tetrahedron Letters, 35, p. 1275, 1994 DOI: 10.1016/0040-4039(94)88042-5
General DescriptionHydrocinnamaldehyde is C=C double bond hydrogenated cinnamaldehyde. It has been synthesized by the selective hydrogenation of C=C double bond of cinnamaldehyde by various methods. Hydrocinnamaldehyde and nitromethane undergoes Henry reaction to form nitroaldols. The C1 and C3 position labelled with 13C of hydrocinnamaldehyde was subjected to mass spectrometry and the fragmentation pattern was elucidated.

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