ChemicalBook--->CAS DataBase List--->4411-89-6

4411-89-6

4411-89-6 Structure

4411-89-6 Structure
IdentificationMore
[Name]

2-PHENYL-2-BUTENAL
[CAS]

4411-89-6
[Synonyms]

2-PHENYL-2-BUTENAL
2-PHENYL-BUT-2-EN-1-AL
2-PHENYLCROTONALDEHYDE
FEMA 3224
(2Z)-2-Phenyl-2-butenal
.alpha.-ethylidenebenzeneacetaldehyde
.alpha.-ethylidene-Benzeneacetaldehyde
2-Butenal, 2-phenyl
2-Phenylacetaldehyde, alpha-ethylidene
2-phenylbut-2-enal
alpha-ethylidenbenzeneacetaldehyde
alpha-ethylidene-benzeneacetaldehyd
2-PHENYL-2-BUTENAL 97+% MIXTURE OF CI&
Benzeneacetaldehyde, .alpha.-ethylidene-
2-Phenyl-2-butenal,(E)+(Z), 97%
(E)-2-phenylbut-2-enal
2-Phenyi-2-butenal
α-Ethylidenebenzeneacetaldehyde
[EINECS(EC#)]

224-567-0
[Molecular Formula]

C10H10O
[MDL Number]

MFCD00053158
[Molecular Weight]

146.19
[MOL File]

4411-89-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

177 °C15 mm Hg(lit.)
[density ]

1.034 g/mL at 25 °C(lit.)
[FEMA ]

3224
[refractive index ]

n20/D 1.561(lit.)
[Fp ]

222 °F
[Specific Gravity]

1.03
[Odor]

at 100.00 %. sweet narcissus cortex beany honey cocoa nutty radish
[biological source]

synthetic
[Odor Type]

musty
[Water Solubility ]

Soluble in oil and ethanol. Insoluble in water.
[Sensitive ]

Air Sensitive
[JECFA Number]

1474
[Major Application]

flavors and fragrances
[InChI]

1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3
[InChIKey]

DYAOGZLLMZQVHY-UHFFFAOYSA-N
[SMILES]

[H]C(=O)C(=CC)c1ccccc1
[LogP]

2.319 (est)
[CAS DataBase Reference]

4411-89-6(CAS DataBase Reference)
[EPA Substance Registry System]

Benzeneacetaldehyde, .alpha.-ethylidene- (4411-89-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenylacetaldehyde
Hazard InformationBack Directory
[Chemical Properties]

2-Phenyl-2-butenal has a green, floral, woody aroma
[Occurrence]

Reported as the odorous component in black tea and Phallus impudicus. Also reported found in cocoa, roasted hazelnut, asparagus, coffee, cocoa, microbial fermented tea, roasted filbert, American potato chips, soybean, rice bran, malt, katsuobishi (dried bonito), okra, roasted macadamia nut and roasted sesame seeds.
[Uses]

2-Phenyl-2-butenal can be used to compare acrylamide and furan concentrations, antioxidant activities, and volatility profiles in cold or hot coffees.
[Definition]

ChEBI:2-Phenyl-2-butenal is an olefinic compound.
[Preparation]

From acetaldehyde and phenyl acetaldehyde.
[Taste threshold values]

Taste characteristics at 10 ppm: green, vegetative, floral, cocoa and nutty.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Phenyl-2-butenal, (E)+(Z), 97%(4411-89-6)
[Sigma Aldrich]

4411-89-6(sigmaaldrich)
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